CID 2757859

4-(4-chlorophenyl)semicarbazide hydrochloride

Structural Information

Molecular Formula

C₇H₈ClN₃O

SMILES

C1=CC(=CC=C1NC(=O)NN)Cl

InChI

InChI=1S/C7H8ClN3O/c8-5-1-3-6(4-2-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)

InChIKey

OXFKGEPYTJGZOZ-UHFFFAOYSA-N

Compound name

1-amino-3-(4-chlorophenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 185.03558 Da
Monoisotopic Mass: 1.1
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]+	186.04286	136.1
[M+Na]+	208.02480	146.7
[M+NH4]+	203.06940	144.2
[M+K]+	223.99874	141.1
[M-H]-	184.02830	139.1
[M+Na-2H]-	206.01025	142.8
[M]+	185.03503	138.4
[M]-	185.03613	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe