CID 139597007

(e)-perfluorodec-8-ene-1-sulfonic acid

Structural Information

Molecular Formula
C10HF19O3S
SMILES
C(=C(/C(F)(F)F)\F)(\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
InChI
InChI=1S/C10HF19O3S/c11-1(2(12)4(15,16)17)3(13,14)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)33(30,31)32/h(H,30,31,32)/b2-1+
InChIKey
RYOZFMRMUKKBCI-OWOJBTEDSA-N
Compound name
(E)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10,10-nonadecafluorodec-8-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

561.9343 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.941576 177.8
[M+Na]+ 584.923518 181.8
[M-H]- 560.927024 186.9
[M+NH4]+ 579.968123 189.0
[M+K]+ 600.897458 191.8
[M+H-H2O]+ 544.931560 166.6
[M+HCOO]- 606.932501 193.6
[M+CH3COO]- 620.948151 239.8
[M+Na-2H]- 582.908966 177.0
[M]+ 561.93375142 177.1
[M]- 561.93484858 177.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.