CID 13149226

6794-70-3

Structural Information

Molecular Formula
C9H7BrN2O
SMILES
C1=CC(=CC=C1C2=CNC(=O)N2)Br
InChI
InChI=1S/C9H7BrN2O/c10-7-3-1-6(2-4-7)8-5-11-9(13)12-8/h1-5H,(H2,11,12,13)
InChIKey
ZQZRRGGPCCTNFN-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-1,3-dihydroimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

237.97418 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.981456 141.5
[M+Na]+ 260.963398 154.4
[M-H]- 236.966904 146.5
[M+NH4]+ 256.008003 160.9
[M+K]+ 276.937338 141.6
[M+H-H2O]+ 220.971440 141.1
[M+HCOO]- 282.972381 161.0
[M+CH3COO]- 296.988031 156.2
[M+Na-2H]- 258.948846 148.3
[M]+ 237.97363142 157.4
[M]- 237.97472858 157.4
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