PubChemLite - Einecs 276-564-9 (C18H14F21NO4S)

Structural Information

Molecular Formula

SMILES

CN(CCOC(=O)C=C)S(=O)(=O)CCC(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

InChI

InChI=1S/C18H14F21NO4S/c1-3-8(41)44-6-5-40(2)45(42,43)7-4-9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h3H,1,4-7H2,2H3

InChIKey

VFAOZLUVVQQCPB-UHFFFAOYSA-N

Compound name

2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfonyl(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]+	740.03808	215.6
[M+Na]+	762.02002	220.0
[M-H]-	738.02352	229.0
[M+NH4]+	757.06462	231.6
[M+K]+	777.99396	233.5
[M+H-H2O]+	722.02806	202.9
[M+HCOO]-	784.02900	230.4
[M+CH3COO]-	798.04465	269.4
[M+Na-2H]-	760.00547	213.5
[M]+	739.03025	216.4
[M]-	739.03135	216.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

740.03808

215.6

[M+Na]+

762.02002

220.0

[M-H]-

738.02352

229.0

[M+NH4]+

757.06462

231.6

[M+K]+

777.99396

233.5

[M+H-H2O]+

722.02806

202.9

[M+HCOO]-

784.02900

230.4

[M+CH3COO]-

798.04465

269.4

[M+Na-2H]-

760.00547

213.5

[M]+

739.03025

216.4

[M]-

739.03135

216.4

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

Einecs 276-564-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe