1,1,2,2-tetrahydroperfluoroeicosyl acrylate (C23H7F37O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H7F37O2/c1-2-5(61)62-4-3-6(24,25)7(26,27)8(28,29)9(30,31)10(32,33)11(34,35)12(36,37)13(38,39)14(40,41)15(42,43)16(44,45)17(46,47)18(48,49)19(50,51)20(52,53)21(54,55)22(56,57)23(58,59)60/h2H,1,3-4H2

InChIKey

FXIGCVJVDAFVIC-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoroicosyl prop-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]+	1018.992806	249.8
[M+Na]+	1040.974748	251.2
[M-H]-	1016.978254	263.3
[M+NH4]+	1036.019353	262.3
[M+K]+	1056.948688	267.1
[M+H-H2O]+	1000.982790	237.6
[M+HCOO]-	1062.983731	261.6
[M+CH3COO]-	1076.999381	278.8
[M+Na-2H]-	1038.960196	252.5
[M]+	1017.98498142	245.2
[M]-	1017.98607858	245.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1018.992806

249.8

[M+Na]+

1040.974748

251.2

[M-H]-

1016.978254

263.3

[M+NH4]+

1036.019353

262.3

[M+K]+

1056.948688

267.1

[M+H-H2O]+

1000.982790

237.6

[M+HCOO]-

1062.983731

261.6

[M+CH3COO]-

1076.999381

278.8

[M+Na-2H]-

1038.960196

252.5

[M]+

1017.98498142

245.2

[M]-

1017.98607858

245.2

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

1,1,2,2-tetrahydroperfluoroeicosyl acrylate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe