PubChemLite - 11cl-pf3ouds (C10HClF20O4S)

Structural Information

Molecular Formula

SMILES

C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C10HClF20O4S/c11-7(24,25)5(20,21)3(16,17)1(12,13)2(14,15)4(18,19)6(22,23)8(26,27)35-9(28,29)10(30,31)36(32,33)34/h(H,32,33,34)

InChIKey

SZVGIJOITCPDPM-UHFFFAOYSA-N

Compound name

2-(8-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctoxy)-1,1,2,2-tetrafluoroethanesulfonic acid

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]+	632.90378	177.8
[M+Na]+	654.88572	180.0
[M-H]-	630.88922	188.1
[M+NH4]+	649.93032	189.3
[M+K]+	670.85966	192.1
[M+H-H2O]+	614.89376	164.5
[M+HCOO]-	676.89470	197.4
[M+CH3COO]-	690.91035	247.7
[M+Na-2H]-	652.87117	177.6
[M]+	631.89595	181.8
[M]-	631.89705	181.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

632.90378

177.8

[M+Na]+

654.88572

180.0

[M-H]-

630.88922

188.1

[M+NH4]+

649.93032

189.3

[M+K]+

670.85966

192.1

[M+H-H2O]+

614.89376

164.5

[M+HCOO]-

676.89470

197.4

[M+CH3COO]-

690.91035

247.7

[M+Na-2H]-

652.87117

177.6

[M]+

631.89595

181.8

[M]-

631.89705

181.8

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

11cl-pf3ouds

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe