CID 8796

4-chlorophenylurea

Structural Information

Molecular Formula

C₇H₇ClN₂O

SMILES

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

InChI

InChI=1S/C7H7ClN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)

InChIKey

RECCURWJDVZHIH-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)urea

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 13
References: 1085
Patents: 170.02469 Da
Monoisotopic Mass: 1.8
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]+	171.03197	131.8
[M+Na]+	193.01391	143.7
[M+NH4]+	188.05851	140.4
[M+K]+	208.98785	137.7
[M-H]-	169.01741	134.6
[M+Na-2H]-	190.99936	138.9
[M]+	170.02414	134.4
[M]-	170.02524	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe