CID 2760889

4-ureido-benzenesulfonyl chloride

Structural Information

Molecular Formula

C₇H₇ClN₂O₃S

SMILES

C1=CC(=CC=C1NC(=O)N)S(=O)(=O)Cl

InChI

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

InChIKey

BFJKMQNJQCJCAI-UHFFFAOYSA-N

Compound name

4-(carbamoylamino)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 233.98659 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]+	234.993866	144.5
[M+Na]+	256.975808	153.2
[M-H]-	232.979314	148.3
[M+NH4]+	252.020413	162.7
[M+K]+	272.949748	148.9
[M+H-H2O]+	216.983850	139.7
[M+HCOO]-	278.984791	159.8
[M+CH3COO]-	293.000441	187.4
[M+Na-2H]-	254.961256	148.8
[M]+	233.98604142	146.5
[M]-	233.98713858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe