CID 2318081

2-chloro-5-{[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid

Structural Information

Molecular Formula
C14H9ClF3NO4S
SMILES
C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)C(F)(F)F
InChI
InChI=1S/C14H9ClF3NO4S/c15-12-5-4-10(7-11(12)13(20)21)24(22,23)19-9-3-1-2-8(6-9)14(16,17)18/h1-7,19H,(H,20,21)
InChIKey
FALCSNQWIXSHNC-UHFFFAOYSA-N
Compound name
2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.9893 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.99658 174.1
[M+Na]+ 401.97852 183.5
[M-H]- 377.98202 176.4
[M+NH4]+ 397.02312 186.3
[M+K]+ 417.95246 177.0
[M+H-H2O]+ 361.98656 165.8
[M+HCOO]- 423.98750 182.4
[M+CH3COO]- 438.00315 210.5
[M+Na-2H]- 399.96397 176.7
[M]+ 378.98875 174.9
[M]- 378.98985 174.9
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.