PubChemLite - 2-propenoic acid, 2-methyl-, 2-(ethyl((heptadecafluorooctyl)sulfonyl)amino)ethyl ester (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	203.8
[M+Na]+	662.02645	209.8
[M-H]-	638.02995	216.4
[M+NH4]+	657.07105	220.1
[M+K]+	678.00039	220.6
[M+H-H2O]+	622.03449	193.2
[M+HCOO]-	684.03543	217.6
[M+CH3COO]-	698.05108	258.6
[M+Na-2H]-	660.01190	201.4
[M]+	639.03668	204.5
[M]-	639.03778	204.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

640.04451

203.8

[M+Na]+

662.02645

209.8

[M-H]-

638.02995

216.4

[M+NH4]+

657.07105

220.1

[M+K]+

678.00039

220.6

[M+H-H2O]+

622.03449

193.2

[M+HCOO]-

684.03543

217.6

[M+CH3COO]-

698.05108

258.6

[M+Na-2H]-

660.01190

201.4

[M]+

639.03668

204.5

[M]-

639.03778

204.5

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-methyl-, 2-(ethyl((heptadecafluorooctyl)sulfonyl)amino)ethyl ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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