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

10
Patents

186.0196 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.026876 135.1
[M+Na]+ 209.008818 143.1
[M-H]- 185.012324 137.8
[M+NH4]+ 204.053423 154.6
[M+K]+ 224.982758 139.5
[M+H-H2O]+ 169.016860 130.3
[M+HCOO]- 231.017801 156.1
[M+CH3COO]- 245.033451 180.2
[M+Na-2H]- 206.994266 142.0
[M]+ 186.01905142 134.7
[M]- 186.02014858 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe