PubChemLite - 34362-49-7 (C19H7F29O2)

Structural Information

Molecular Formula

SMILES

C=CC(=O)OCCC(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

InChI

InChI=1S/C19H7F29O2/c1-2-5(49)50-4-3-6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)15(38,39)16(40,41)17(42,43)18(44,45)19(46,47)48/h2H,1,3-4H2

InChIKey

KLOHTAIHCCMZIL-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl 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]+	819.00558	152.5
[M+Na]+	840.98752	152.5
[M+NH4]+	836.03212	152.5
[M+K]+	856.96146	152.5
[M-H]-	816.99102	152.5
[M+Na-2H]-	838.97297	152.5
[M]+	817.99775	152.5
[M]-	817.99885	152.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

819.00558

152.5

[M+Na]+

840.98752

152.5

[M+NH4]+

836.03212

152.5

[M+K]+

856.96146

152.5

[M-H]-

816.99102

152.5

[M+Na-2H]-

838.97297

152.5

[M]+

817.99775

152.5

[M]-

817.99885

152.5

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

34362-49-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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