CID 2345459

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

Structural Information

Molecular Formula
C13H10FNO4S
SMILES
C1=CC(=CC=C1C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C13H10FNO4S/c14-10-3-5-11(6-4-10)15-20(18,19)12-7-1-9(2-8-12)13(16)17/h1-8,15H,(H,16,17)
InChIKey
TXOQYCWPOYXFKW-UHFFFAOYSA-N
Compound name
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.03146 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.03874 162.2
[M+Na]+ 318.02068 173.0
[M+NH4]+ 313.06528 168.1
[M+K]+ 333.99462 166.6
[M-H]- 294.02418 163.1
[M+Na-2H]- 316.00613 168.8
[M]+ 295.03091 164.2
[M]- 295.03201 164.2
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.