PubChemLite - 13285-40-0 (C17H16F17NO4S)

Structural Information

Molecular Formula

SMILES

CCCN(CCOC(=O)C(=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/C17H16F17NO4S/c1-4-5-35(6-7-39-9(36)8(2)3)40(37,38)17(33,34)15(28,29)13(24,25)11(20,21)10(18,19)12(22,23)14(26,27)16(30,31)32/h2,4-7H2,1,3H3

InChIKey

XBWYIWRSPVIPCH-UHFFFAOYSA-N

Compound name

2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethyl 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]+	654.06014	155.7
[M+Na]+	676.04208	155.8
[M+NH4]+	671.08668	155.9
[M+K]+	692.01602	156.0
[M-H]-	652.04558	155.7
[M+Na-2H]-	674.02753	155.5
[M]+	653.05231	155.8
[M]-	653.05341	155.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

654.06014

155.7

[M+Na]+

676.04208

155.8

[M+NH4]+

671.08668

155.9

[M+K]+

692.01602

156.0

[M-H]-

652.04558

155.7

[M+Na-2H]-

674.02753

155.5

[M]+

653.05231

155.8

[M]-

653.05341

155.8

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

13285-40-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe