CID 3854920

5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C13H10ClNO5S
SMILES
C1=CC=C(C(=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O)Cl
InChI
InChI=1S/C13H10ClNO5S/c14-10-3-1-2-4-11(10)15-21(19,20)8-5-6-12(16)9(7-8)13(17)18/h1-7,15-16H,(H,17,18)
InChIKey
VROYVGONLXWDPE-UHFFFAOYSA-N
Compound name
5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.99683 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.00411 165.9
[M+Na]+ 349.98605 174.6
[M-H]- 325.98955 170.9
[M+NH4]+ 345.03065 179.5
[M+K]+ 365.95999 168.9
[M+H-H2O]+ 309.99409 160.4
[M+HCOO]- 371.99503 177.9
[M+CH3COO]- 386.01068 199.8
[M+Na-2H]- 347.97150 169.2
[M]+ 326.99628 169.7
[M]- 326.99738 169.7
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

No patent data available for this compound.