CID 7010340

51594-97-9

Structural Information

Molecular Formula

C₇H₆ClNO₃S

SMILES

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

InChI

InChI=1S/C7H6ClNO3S/c8-7(10)5-1-3-6(4-2-5)13(9,11)12/h1-4H,(H2,9,11,12)

InChIKey

SOSVTEHBZNSARP-UHFFFAOYSA-N

Compound name

4-sulfamoylbenzoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 218.9757 Da
Monoisotopic Mass: 1.5
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]+	219.982976	139.9
[M+Na]+	241.964918	149.6
[M-H]-	217.968424	144.0
[M+NH4]+	237.009523	159.2
[M+K]+	257.938858	145.3
[M+H-H2O]+	201.972960	135.6
[M+HCOO]-	263.973901	154.3
[M+CH3COO]-	277.989551	183.0
[M+Na-2H]-	239.950366	143.8
[M]+	218.97515142	142.8
[M]-	218.97624858	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe