CID 2342175

2-chloro-5-[(4-iodophenyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C13H9ClINO4S
SMILES
C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)I
InChI
InChI=1S/C13H9ClINO4S/c14-12-6-5-10(7-11(12)13(17)18)21(19,20)16-9-3-1-8(15)2-4-9/h1-7,16H,(H,17,18)
InChIKey
NVJGBPYMAFTNGX-UHFFFAOYSA-N
Compound name
2-chloro-5-[(4-iodophenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.89856 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.90584 181.8
[M+Na]+ 459.88778 183.6
[M-H]- 435.89128 180.7
[M+NH4]+ 454.93238 191.2
[M+K]+ 475.86172 183.8
[M+H-H2O]+ 419.89582 172.0
[M+HCOO]- 481.89676 190.0
[M+CH3COO]- 495.91241 209.8
[M+Na-2H]- 457.87323 172.6
[M]+ 436.89801 182.9
[M]- 436.89911 182.9
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.