PubChemLite - 2-propenoic acid, 2-(((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)methylamino)ethyl ester (C14H10F17NO4S)

Structural Information

Molecular Formula

SMILES

CN(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/C14H10F17NO4S/c1-3-6(33)36-5-4-32(2)37(34,35)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h3H,1,4-5H2,2H3

InChIKey

RTJZWOGSCLVJLD-UHFFFAOYSA-N

Compound name

2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)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]+	612.01318	193.6
[M+Na]+	633.99512	199.6
[M-H]-	609.99862	205.6
[M+NH4]+	629.03972	208.8
[M+K]+	649.96906	209.4
[M+H-H2O]+	594.00316	182.9
[M+HCOO]-	656.00410	210.3
[M+CH3COO]-	670.01975	253.4
[M+Na-2H]-	631.98057	191.8
[M]+	611.00535	194.5
[M]-	611.00645	194.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

612.01318

193.6

[M+Na]+

633.99512

199.6

[M-H]-

609.99862

205.6

[M+NH4]+

629.03972

208.8

[M+K]+

649.96906

209.4

[M+H-H2O]+

594.00316

182.9

[M+HCOO]-

656.00410

210.3

[M+CH3COO]-

670.01975

253.4

[M+Na-2H]-

631.98057

191.8

[M]+

611.00535

194.5

[M]-

611.00645

194.5

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

2-propenoic acid, 2-(((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)methylamino)ethyl ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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