CID 4251126

1-(4-bromophenyl)-3-hydroxyurea

Structural Information

Molecular Formula
C7H7BrN2O2
SMILES
C1=CC(=CC=C1NC(=O)NO)Br
InChI
InChI=1S/C7H7BrN2O2/c8-5-1-3-6(4-2-5)9-7(11)10-12/h1-4,12H,(H2,9,10,11)
InChIKey
QFELVVGTIKGYJL-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

229.96909 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.97637 138.5
[M+Na]+ 252.95831 148.3
[M-H]- 228.96181 143.5
[M+NH4]+ 248.00291 158.6
[M+K]+ 268.93225 137.1
[M+H-H2O]+ 212.96635 137.3
[M+HCOO]- 274.96729 161.0
[M+CH3COO]- 288.98294 186.7
[M+Na-2H]- 250.94376 146.5
[M]+ 229.96854 154.4
[M]- 229.96964 154.4
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