CID 760130

3-[(4-fluorophenyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C13H10FNO4S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C13H10FNO4S/c14-10-4-6-11(7-5-10)15-20(18,19)12-3-1-2-9(8-12)13(16)17/h1-8,15H,(H,16,17)
InChIKey
OJVDUXURNHYJCV-UHFFFAOYSA-N
Compound name
3-[(4-fluorophenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.03146 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.03874 160.7
[M+Na]+ 318.02068 168.6
[M-H]- 294.02418 165.2
[M+NH4]+ 313.06528 175.0
[M+K]+ 333.99462 164.0
[M+H-H2O]+ 278.02872 152.7
[M+HCOO]- 340.02966 177.4
[M+CH3COO]- 354.04531 197.5
[M+Na-2H]- 316.00613 164.4
[M]+ 295.03091 161.1
[M]- 295.03201 161.1
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.