CID 8823606

3-[(5-chloro-2-fluorophenyl)sulfamoyl]-4-methylbenzoic acid

Structural Information

Molecular Formula
C14H11ClFNO4S
SMILES
CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=C(C=CC(=C2)Cl)F
InChI
InChI=1S/C14H11ClFNO4S/c1-8-2-3-9(14(18)19)6-13(8)22(20,21)17-12-7-10(15)4-5-11(12)16/h2-7,17H,1H3,(H,18,19)
InChIKey
NIJSESWVGUMMLX-UHFFFAOYSA-N
Compound name
3-[(5-chloro-2-fluorophenyl)sulfamoyl]-4-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.00815 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.01543 172.7
[M+Na]+ 365.99737 184.7
[M+NH4]+ 361.04197 178.6
[M+K]+ 381.97131 177.6
[M-H]- 342.00087 173.7
[M+Na-2H]- 363.98282 178.6
[M]+ 343.00760 175.3
[M]- 343.00870 175.3
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.