CID 706988

22814-92-2

Structural Information

Molecular Formula

C₇H₈ClN₃S

SMILES

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

InChI

InChI=1S/C7H8ClN3S/c8-5-1-3-6(4-2-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)

InChIKey

GFTWJLUVFRTLIL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 51
Patents: 201.01274 Da
Monoisotopic Mass: 1.4
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]+	202.02002	139.8
[M+Na]+	224.00196	150.2
[M+NH4]+	219.04656	148.7
[M+K]+	239.97590	142.1
[M-H]-	200.00546	143.5
[M+Na-2H]-	221.98741	146.2
[M]+	201.01219	142.8
[M]-	201.01329	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe