CID 139598157

Dhpflsa, n=6

Structural Information

Molecular Formula
C10H2F18O3S
SMILES
C(/C(=C(/C(F)(F)F)\F)/F)(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C10H2F18O3S/c11-1(3(13)5(16,17)18)2(12)4(14,15)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)32(29,30)31/h2H,(H,29,30,31)/b3-1+
InChIKey
ZCYMFPCPWCXPPX-HNQUOIGGSA-N
Compound name
(E)-1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10,10-octadecafluorodec-8-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

543.9437 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.95098 178.0
[M+Na]+ 566.93292 182.7
[M-H]- 542.93642 186.6
[M+NH4]+ 561.97752 189.6
[M+K]+ 582.90686 191.9
[M+H-H2O]+ 526.94096 168.3
[M+HCOO]- 588.94190 191.6
[M+CH3COO]- 602.95755 237.6
[M+Na-2H]- 564.91837 176.9
[M]+ 543.94315 176.5
[M]- 543.94425 176.5
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.