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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02688 135.1
[M+Na]+ 209.00882 143.1
[M-H]- 185.01232 137.8
[M+NH4]+ 204.05342 154.6
[M+K]+ 224.98276 139.5
[M+H-H2O]+ 169.01686 130.3
[M+HCOO]- 231.01780 156.1
[M+CH3COO]- 245.03345 180.2
[M+Na-2H]- 206.99427 142.0
[M]+ 186.01905 134.7
[M]- 186.02015 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