(e)-perfluoroundec-9-ene-1-sulfonic acid (C11HF21O3S)

Structural Information

Molecular Formula

SMILES

C(=C(/C(F)(F)F)\F)(\C(C(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/F

InChI

InChI=1S/C11HF21O3S/c12-1(2(13)4(16,17)18)3(14,15)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)36(33,34)35/h(H,33,34,35)/b2-1+

InChIKey

BDDVKOZJSZCMMM-OWOJBTEDSA-N

Compound name

(E)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,11,11,11-henicosafluoroundec-9-ene-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]+	612.938376	186.0
[M+Na]+	634.920318	189.5
[M-H]-	610.923824	196.2
[M+NH4]+	629.964923	198.0
[M+K]+	650.894258	201.1
[M+H-H2O]+	594.928360	174.0
[M+HCOO]-	656.929301	201.3
[M+CH3COO]-	670.944951	246.7
[M+Na-2H]-	632.905766	185.5
[M]+	611.93055142	185.3
[M]-	611.93164858	185.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

612.938376

186.0

[M+Na]+

634.920318

189.5

[M-H]-

610.923824

196.2

[M+NH4]+

629.964923

198.0

[M+K]+

650.894258

201.1

[M+H-H2O]+

594.928360

174.0

[M+HCOO]-

656.929301

201.3

[M+CH3COO]-

670.944951

246.7

[M+Na-2H]-

632.905766

185.5

[M]+

611.93055142

185.3

[M]-

611.93164858

185.3

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

(e)-perfluoroundec-9-ene-1-sulfonic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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