PubChemLite - 1-decanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heneicosafluoro- (C10HF21O3S)

Structural Information

Molecular Formula

SMILES

C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C10HF21O3S/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34/h(H,32,33,34)

InChIKey

HYWZIAVPBSTISZ-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonic acid

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]+	600.93838	177.9
[M+Na]+	622.92032	180.2
[M-H]-	598.92382	187.2
[M+NH4]+	617.96492	188.3
[M+K]+	638.89426	192.0
[M+H-H2O]+	582.92836	164.3
[M+HCOO]-	644.92930	197.2
[M+CH3COO]-	658.94495	245.4
[M+Na-2H]-	620.90577	177.7
[M]+	599.93055	179.0
[M]-	599.93165	179.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

600.93838

177.9

[M+Na]+

622.92032

180.2

[M-H]-

598.92382

187.2

[M+NH4]+

617.96492

188.3

[M+K]+

638.89426

192.0

[M+H-H2O]+

582.92836

164.3

[M+HCOO]-

644.92930

197.2

[M+CH3COO]-

658.94495

245.4

[M+Na-2H]-

620.90577

177.7

[M]+

599.93055

179.0

[M]-

599.93165

179.0

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

1-decanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heneicosafluoro-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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