CID 16776424

(3-amino-4-chlorophenyl)urea

Structural Information

Molecular Formula

C₇H₈ClN₃O

SMILES

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

InChI

InChI=1S/C7H8ClN3O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,9H2,(H3,10,11,12)

InChIKey

HEDZDBXQLRNBHC-UHFFFAOYSA-N

Compound name

(3-amino-4-chlorophenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 185.03558 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]+	186.04286	135.9
[M+Na]+	208.02480	146.6
[M+NH4]+	203.06940	143.8
[M+K]+	223.99874	141.4
[M-H]-	184.02830	138.8
[M+Na-2H]-	206.01025	141.9
[M]+	185.03503	138.1
[M]-	185.03613	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe