CID 18071335

869965-83-3

Structural Information

Molecular Formula

C₇H₅Cl₂NO₄S

SMILES

C1=C(C=C(C(=C1C(=O)O)Cl)Cl)S(=O)(=O)N

InChI

InChI=1S/C7H5Cl2NO4S/c8-5-2-3(15(10,13)14)1-4(6(5)9)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)

InChIKey

LTFKNFZNUVHONC-UHFFFAOYSA-N

Compound name

2,3-dichloro-5-sulfamoylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 268.93164 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	269.93892	146.7
[M+Na]+	291.92086	157.4
[M-H]-	267.92436	149.5
[M+NH4]+	286.96546	164.0
[M+K]+	307.89480	151.8
[M+H-H2O]+	251.92890	144.1
[M+HCOO]-	313.92984	154.8
[M+CH3COO]-	327.94549	189.9
[M+Na-2H]-	289.90631	148.6
[M]+	268.93109	150.9
[M]-	268.93219	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe