PubChemLite - 376-14-7 (C16H14F17NO4S)

Structural Information

Molecular Formula

SMILES

CCN(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/C16H14F17NO4S/c1-4-34(5-6-38-8(35)7(2)3)39(36,37)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h2,4-6H2,1,3H3

InChIKey

DBCGADAHIXJHCE-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 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]+	640.04451	155.6
[M+Na]+	662.02645	155.8
[M+NH4]+	657.07105	155.9
[M+K]+	678.00039	155.9
[M-H]-	638.02995	155.6
[M+Na-2H]-	660.01190	155.5
[M]+	639.03668	155.7
[M]-	639.03778	155.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

640.04451

155.6

[M+Na]+

662.02645

155.8

[M+NH4]+

657.07105

155.9

[M+K]+

678.00039

155.9

[M-H]-

638.02995

155.6

[M+Na-2H]-

660.01190

155.5

[M]+

639.03668

155.7

[M]-

639.03778

155.7

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

376-14-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe