PubChemLite - 423-82-5 (C15H12F17NO4S)

Structural Information

Molecular Formula

SMILES

CCN(CCOC(=O)C=C)S(=O)(=O)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

InChI

InChI=1S/C15H12F17NO4S/c1-3-7(34)37-6-5-33(4-2)38(35,36)15(31,32)13(26,27)11(22,23)9(18,19)8(16,17)10(20,21)12(24,25)14(28,29)30/h3H,1,4-6H2,2H3

InChIKey

ZAZJGBCGMUKZEL-UHFFFAOYSA-N

Compound name

2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethyl 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]+	626.02883	155.5
[M+Na]+	648.01077	155.7
[M+NH4]+	643.05537	155.8
[M+K]+	663.98471	155.8
[M-H]-	624.01427	155.5
[M+Na-2H]-	645.99622	155.4
[M]+	625.02100	155.6
[M]-	625.02210	155.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

626.02883

155.5

[M+Na]+

648.01077

155.7

[M+NH4]+

643.05537

155.8

[M+K]+

663.98471

155.8

[M-H]-

624.01427

155.5

[M+Na-2H]-

645.99622

155.4

[M]+

625.02100

155.6

[M]-

625.02210

155.6

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

423-82-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe