PubChemLite - 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl methacrylate (C17H9F23O2)

Structural Information

Molecular Formula

SMILES

CC(=C)C(=O)OCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C17H9F23O2/c1-5(2)6(41)42-4-3-7(18,19)9(21,22)11(25,26)13(29,30)15(33,34)14(31,32)12(27,28)10(23,24)8(20,16(35,36)37)17(38,39)40/h1,3-4H2,2H3

InChIKey

PVMWMBHAEVDBQR-UHFFFAOYSA-N

Compound name

[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl] 2-methylprop-2-enoate

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]+	683.03078	203.2
[M+Na]+	705.01272	207.8
[M-H]-	681.01622	215.2
[M+NH4]+	700.05732	217.3
[M+K]+	720.98666	221.5
[M+H-H2O]+	665.02076	191.0
[M+HCOO]-	727.02170	218.5
[M+CH3COO]-	741.03735	261.6
[M+Na-2H]-	702.99817	203.0
[M]+	682.02295	201.6
[M]-	682.02405	201.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

683.03078

203.2

[M+Na]+

705.01272

207.8

[M-H]-

681.01622

215.2

[M+NH4]+

700.05732

217.3

[M+K]+

720.98666

221.5

[M+H-H2O]+

665.02076

191.0

[M+HCOO]-

727.02170

218.5

[M+CH3COO]-

741.03735

261.6

[M+Na-2H]-

702.99817

203.0

[M]+

682.02295

201.6

[M]-

682.02405

201.6

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

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl methacrylate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe