CID 2341182

721415-29-8

Structural Information

Molecular Formula
C13H9ClFNO4S
SMILES
C1=CC(=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)F
InChI
InChI=1S/C13H9ClFNO4S/c14-11-6-1-8(13(17)18)7-12(11)21(19,20)16-10-4-2-9(15)3-5-10/h1-7,16H,(H,17,18)
InChIKey
ZNLCUHPLAHASPH-UHFFFAOYSA-N
Compound name
4-chloro-3-[(4-fluorophenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.9925 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.99978 165.3
[M+Na]+ 351.98172 174.8
[M-H]- 327.98522 170.3
[M+NH4]+ 347.02632 179.5
[M+K]+ 367.95566 168.7
[M+H-H2O]+ 311.98976 158.6
[M+HCOO]- 373.99070 177.5
[M+CH3COO]- 388.00635 202.4
[M+Na-2H]- 349.96717 168.2
[M]+ 328.99195 168.5
[M]- 328.99305 168.5
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.