CID 109715

68189-34-4

Structural Information

Molecular Formula
C13H10ClNO4S
SMILES
C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C13H10ClNO4S/c14-12-7-6-10(8-11(12)13(16)17)20(18,19)15-9-4-2-1-3-5-9/h1-8,15H,(H,16,17)
InChIKey
BYKANEVMPOZIQF-UHFFFAOYSA-N
Compound name
2-chloro-5-(phenylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

311.0019 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.00918 165.5
[M+Na]+ 333.99112 178.2
[M+NH4]+ 329.03572 172.5
[M+K]+ 349.96506 170.7
[M-H]- 309.99462 168.0
[M+Na-2H]- 331.97657 173.0
[M]+ 311.00135 168.7
[M]- 311.00245 168.7
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

patents stripe