CID 21655373

Chlorophenylurea

Structural Information

Molecular Formula

C₇H₇ClN₂O

SMILES

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

InChI

InChI=1S/C7H7ClN2O/c8-10(7(9)11)6-4-2-1-3-5-6/h1-5H,(H2,9,11)

InChIKey

XUYAAIUFZVWSSJ-UHFFFAOYSA-N

Compound name

1-chloro-1-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 162
Patents: 170.02469 Da
Monoisotopic Mass: 1.3
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]+	171.031966	132.6
[M+Na]+	193.013908	140.2
[M-H]-	169.017414	137.3
[M+NH4]+	188.058513	153.5
[M+K]+	208.987848	138.0
[M+H-H2O]+	153.021950	127.3
[M+HCOO]-	215.022891	154.7
[M+CH3COO]-	229.038541	182.9
[M+Na-2H]-	190.999356	138.8
[M]+	170.02414142	132.6
[M]-	170.02523858	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe