CID 139595887

Kpflsa_i n=3

Structural Information

Molecular Formula
C4HF7O4S
SMILES
C(=O)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)F
InChI
InChI=1S/C4HF7O4S/c5-1(12)2(6,7)3(8,9)4(10,11)16(13,14)15/h(H,13,14,15)
InChIKey
LFJTYWKMKDHSSW-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4-heptafluoro-4-oxobutane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.94836 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.95564 178.1
[M+Na]+ 300.93758 178.7
[M+NH4]+ 295.98218 177.4
[M+K]+ 316.91152 176.5
[M-H]- 276.94108 167.4
[M+Na-2H]- 298.92303 174.1
[M]+ 277.94781 174.8
[M]- 277.94891 174.8
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.