CID 89785

22663-37-2

Structural Information

Molecular Formula

C₇H₇ClN₂O₃S

SMILES

C1=CC(=CC=C1S(=O)(=O)NC(=O)N)Cl

InChI

InChI=1S/C7H7ClN2O3S/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11/h1-4H,(H3,9,10,11)

InChIKey

AZEPYUPSYWCRBG-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)sulfonylurea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 31
Patents: 233.98659 Da
Monoisotopic Mass: 0.9
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]+	234.99387	146.4
[M+Na]+	256.97581	156.3
[M+NH4]+	252.02041	153.3
[M+K]+	272.94975	150.4
[M-H]-	232.97931	147.2
[M+Na-2H]-	254.96126	151.4
[M]+	233.98604	148.5
[M]-	233.98714	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe