CID 176514728

U-6:2 ftsa

Structural Information

Molecular Formula
C8H3F13O3S
SMILES
C(=C/S(=O)(=O)O)\C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H3F13O3S/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H,(H,22,23,24)/b2-1+
InChIKey
DPLOQFIHXVSMMN-OWOJBTEDSA-N
Compound name
(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.95953 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.96681 173.5
[M+Na]+ 448.94875 182.0
[M-H]- 424.95225 158.0
[M+NH4]+ 443.99335 160.9
[M+K]+ 464.92269 177.8
[M+H-H2O]+ 408.95679 160.0
[M+HCOO]- 470.95773 175.7
[M+CH3COO]- 484.97338 217.2
[M+Na-2H]- 446.93420 176.8
[M]+ 425.95898 155.4
[M]- 425.96008 155.4
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.