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
2
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 140.8
[M+Na]+ 300.93758 149.7
[M-H]- 276.94108 131.4
[M+NH4]+ 295.98218 155.6
[M+K]+ 316.91152 147.5
[M+H-H2O]+ 260.94562 131.6
[M+HCOO]- 322.94656 145.4
[M+CH3COO]- 336.96221 190.4
[M+Na-2H]- 298.92303 144.5
[M]+ 277.94781 133.0
[M]- 277.94891 133.0
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.