PubChemLite - 3-ethenyl-1,1,2-trifluoro-2-(1,1,2,2-tetrafluoro-2-{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy}ethoxy)cyclobutane (C13H6F18O4)

Structural Information

Molecular Formula

SMILES

C=CC1CC(C1(OC(C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)(F)F

InChI

InChI=1S/C13H6F18O4/c1-2-4-3-5(14,15)6(4,16)32-7(17,18)8(19,20)33-9(21,22)10(23,24)34-11(25,26)12(27,28)35-13(29,30)31/h2,4H,1,3H2

InChIKey

AQKWQSJDJXDALR-UHFFFAOYSA-N

Compound name

3-ethenyl-1,1,2-trifluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]cyclobutane

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	569.00514	171.4
[M+Na]+	590.98708	176.6
[M-H]-	566.99058	177.8
[M+NH4]+	586.03168	181.7
[M+K]+	606.96102	183.6
[M+H-H2O]+	550.99512	163.7
[M+HCOO]-	612.99606	192.2
[M+CH3COO]-	627.01171	246.7
[M+Na-2H]-	588.97253	170.8
[M]+	567.99731	168.5
[M]-	567.99841	168.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

569.00514

171.4

[M+Na]+

590.98708

176.6

[M-H]-

566.99058

177.8

[M+NH4]+

586.03168

181.7

[M+K]+

606.96102

183.6

[M+H-H2O]+

550.99512

163.7

[M+HCOO]-

612.99606

192.2

[M+CH3COO]-

627.01171

246.7

[M+Na-2H]-

588.97253

170.8

[M]+

567.99731

168.5

[M]-

567.99841

168.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

3-ethenyl-1,1,2-trifluoro-2-(1,1,2,2-tetrafluoro-2-{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy}ethoxy)cyclobutane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe