CID 165897351

2137751-52-9

Structural Information

Molecular Formula
C7H4ClFO5S
SMILES
C1=C(C=C(C(=C1S(=O)(=O)F)O)Cl)C(=O)O
InChI
InChI=1S/C7H4ClFO5S/c8-4-1-3(7(11)12)2-5(6(4)10)15(9,13)14/h1-2,10H,(H,11,12)
InChIKey
WQBSUAXEQZBELW-UHFFFAOYSA-N
Compound name
3-chloro-5-fluorosulfonyl-4-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.9452 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.95248 140.8
[M+Na]+ 276.93442 151.7
[M-H]- 252.93792 142.0
[M+NH4]+ 271.97902 158.1
[M+K]+ 292.90836 147.1
[M+H-H2O]+ 236.94246 136.7
[M+HCOO]- 298.94340 151.3
[M+CH3COO]- 312.95905 183.3
[M+Na-2H]- 274.91987 143.3
[M]+ 253.94465 144.4
[M]- 253.94575 144.4
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.