CID 7996300

2,4-dichloro-5-[(pyridin-3-ylmethyl)sulfamoyl]benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
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 176.9
[M+Na]+ 382.96307 190.0
[M+NH4]+ 378.00767 183.0
[M+K]+ 398.93701 182.3
[M-H]- 358.96657 178.4
[M+Na-2H]- 380.94852 183.3
[M]+ 359.97330 180.1
[M]- 359.97440 180.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.