CID 2422547

2,4-dichloro-5-[(pyridin-2-ylmethyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C13H10Cl2N2O4S
SMILES
C1=CC=NC(=C1)CNS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)Cl
InChI
InChI=1S/C13H10Cl2N2O4S/c14-10-6-11(15)12(5-9(10)13(18)19)22(20,21)17-7-8-3-1-2-4-16-8/h1-6,17H,7H2,(H,18,19)
InChIKey
XHSGHQFUUHUXGG-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

359.97385 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.98113 171.6
[M+Na]+ 382.96307 181.1
[M-H]- 358.96657 176.2
[M+NH4]+ 378.00767 183.9
[M+K]+ 398.93701 174.6
[M+H-H2O]+ 342.97111 166.0
[M+HCOO]- 404.97205 178.7
[M+CH3COO]- 418.98770 206.7
[M+Na-2H]- 380.94852 174.6
[M]+ 359.97330 177.3
[M]- 359.97440 177.3
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

patents stripe