CID 68809

Monalazone disodium

Structural Information

Molecular Formula

C₇H₆ClNO₄S

SMILES

C1=CC(=CC=C1C(=O)O)S(=O)(=O)NCl

InChI

InChI=1S/C7H6ClNO4S/c8-9-14(12,13)6-3-1-5(2-4-6)7(10)11/h1-4,9H,(H,10,11)

InChIKey

WGHSWNHOFPGMKJ-UHFFFAOYSA-N

Compound name

4-(chlorosulfamoyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 152
Patents: 234.97061 Da
Monoisotopic Mass: 0.8
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]+	235.977886	142.4
[M+Na]+	257.959828	151.4
[M-H]-	233.963334	145.5
[M+NH4]+	253.004433	160.4
[M+K]+	273.933768	147.2
[M+H-H2O]+	217.967870	138.2
[M+HCOO]-	279.968811	156.1
[M+CH3COO]-	293.984461	183.3
[M+Na-2H]-	255.945276	147.2
[M]+	234.97006142	145.9
[M]-	234.97115858	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe