CID 139595815

Dpflsa_i n=5

Structural Information

Molecular Formula
C8HF15O3S
SMILES
C(=C(/C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)\F)(\C(C(C(F)(F)F)(F)F)(F)F)/F
InChI
InChI=1S/C8HF15O3S/c9-1(3(11,12)5(15,16)7(19,20)21)2(10)4(13,14)6(17,18)8(22,23)27(24,25)26/h(H,24,25,26)/b2-1+
InChIKey
KSTCMYVADSAATO-OWOJBTEDSA-N
Compound name
(E)-1,1,2,2,3,3,4,5,6,6,7,7,8,8,8-pentadecafluorooct-4-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

461.94067 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.94795 161.9
[M+Na]+ 484.92989 167.1
[M-H]- 460.93339 168.3
[M+NH4]+ 479.97449 171.3
[M+K]+ 500.90383 173.3
[M+H-H2O]+ 444.93793 161.0
[M+HCOO]- 506.93887 178.6
[M+CH3COO]- 520.95452 224.0
[M+Na-2H]- 482.91534 176.3
[M]+ 461.94012 161.4
[M]- 461.94122 161.4
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.