CID 269503

1-(3-chlorophenyl)-3-hydroxyurea

Structural Information

Molecular Formula

C₇H₇ClN₂O₂

SMILES

C1=CC(=CC(=C1)Cl)NC(=O)NO

InChI

InChI=1S/C7H7ClN2O2/c8-5-2-1-3-6(4-5)9-7(11)10-12/h1-4,12H,(H2,9,10,11)

InChIKey

IKYLYRBWLURWDH-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)-3-hydroxyurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 186.0196 Da
Monoisotopic Mass: 1.7
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]+	187.02688	135.1
[M+Na]+	209.00882	146.3
[M+NH4]+	204.05342	143.0
[M+K]+	224.98276	140.9
[M-H]-	185.01232	137.1
[M+Na-2H]-	206.99427	141.6
[M]+	186.01905	137.2
[M]-	186.02015	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe