CID 97464

1-(4-chlorophenyl)-3-hydroxyurea

Structural Information

Molecular Formula
C7H7ClN2O2
SMILES
C1=CC(=CC=C1NC(=O)NO)Cl
InChI
InChI=1S/C7H7ClN2O2/c8-5-1-3-6(4-2-5)9-7(11)10-12/h1-4,12H,(H2,9,10,11)
InChIKey
BVMOJUSYEYRSRG-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

186.0196 Da
Monoisotopic Mass

1.4
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

literature stripe

Patent stripe

patents stripe