PubChemLite - Einecs 267-835-2 (C15H14F15NO4S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C15H14F15NO4S/c1-4-31(5-6-35-8(32)7(2)3)36(33,34)15(29,30)13(24,25)11(20,21)9(16,17)10(18,19)12(22,23)14(26,27)28/h2,4-6H2,1,3H3

InChIKey

VOQYRTHXEXILMW-UHFFFAOYSA-N

Compound name

2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)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]+	590.04768	196.3
[M+Na]+	612.02962	203.1
[M-H]-	588.03312	207.8
[M+NH4]+	607.07422	211.9
[M+K]+	628.00356	212.0
[M+H-H2O]+	572.03766	187.0
[M+HCOO]-	634.03860	210.6
[M+CH3COO]-	648.05425	251.9
[M+Na-2H]-	610.01507	193.7
[M]+	589.03985	197.1
[M]-	589.04095	197.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

590.04768

196.3

[M+Na]+

612.02962

203.1

[M-H]-

588.03312

207.8

[M+NH4]+

607.07422

211.9

[M+K]+

628.00356

212.0

[M+H-H2O]+

572.03766

187.0

[M+HCOO]-

634.03860

210.6

[M+CH3COO]-

648.05425

251.9

[M+Na-2H]-

610.01507

193.7

[M]+

589.03985

197.1

[M]-

589.04095

197.1

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

Einecs 267-835-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe