CID 81786

1-hydroxy-3-phenylurea

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C1=CC=C(C=C1)NC(=O)NO
InChI
InChI=1S/C7H8N2O2/c10-7(9-11)8-6-4-2-1-3-5-6/h1-5,11H,(H2,8,9,10)
InChIKey
AAVSQBMWOCNSDL-UHFFFAOYSA-N
Compound name
1-hydroxy-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

73
Patents

152.05858 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 128.7
[M+Na]+ 175.04780 134.9
[M-H]- 151.05130 131.2
[M+NH4]+ 170.09240 148.4
[M+K]+ 191.02174 133.4
[M+H-H2O]+ 135.05584 122.7
[M+HCOO]- 197.05678 154.2
[M+CH3COO]- 211.07243 175.2
[M+Na-2H]- 173.03325 136.8
[M]+ 152.05803 125.8
[M]- 152.05913 125.8
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