CID 168509891

H3-u-pfos

Structural Information

Molecular Formula
C8H4F12O3S
SMILES
C(C(C(C(/C(=C(/C(C(F)(F)F)(F)F)\F)/F)(F)F)(F)F)F)S(=O)(=O)O
InChI
InChI=1S/C8H4F12O3S/c9-2(1-24(21,22)23)5(12,13)6(14,15)3(10)4(11)7(16,17)8(18,19)20/h2H,1H2,(H,21,22,23)/b4-3+
InChIKey
NOYUOSMINGYRLW-ONEGZZNKSA-N
Compound name
(E)-2,3,3,4,4,5,6,7,7,8,8,8-dodecafluorooct-5-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.96896 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.97624 165.6
[M+Na]+ 430.95818 173.0
[M-H]- 406.96168 150.4
[M+NH4]+ 426.00278 167.7
[M+K]+ 446.93212 169.4
[M+H-H2O]+ 390.96622 152.4
[M+HCOO]- 452.96716 173.2
[M+CH3COO]- 466.98281 215.2
[M+Na-2H]- 428.94363 164.2
[M]+ 407.96841 148.8
[M]- 407.96951 148.8
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.