CID 735843

3696-23-9

Structural Information

Molecular Formula

C₇H₇ClN₂S

SMILES

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

InChI

InChI=1S/C7H7ClN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)

InChIKey

XVEFWRUIYOXUGG-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 278
Patents: 186.00185 Da
Monoisotopic Mass: 2.4
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]+	187.00913	136.0
[M+Na]+	208.99107	147.7
[M+NH4]+	204.03567	145.5
[M+K]+	224.96501	139.2
[M-H]-	184.99457	139.5
[M+Na-2H]-	206.97652	142.7
[M]+	186.00130	139.3
[M]-	186.00240	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe