CID 12228060

5-bromo-1,3-dihydro-2h-benzimidazol-2-one

Structural Information

Molecular Formula
C7H5BrN2O
SMILES
C1=CC2=C(C=C1Br)NC(=O)N2
InChI
InChI=1S/C7H5BrN2O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChIKey
VWIGEYVTDXNDHV-UHFFFAOYSA-N
Compound name
5-bromo-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

353
Patents

211.95853 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.965806 133.1
[M+Na]+ 234.947748 148.0
[M-H]- 210.951254 136.4
[M+NH4]+ 229.992353 154.9
[M+K]+ 250.921688 135.3
[M+H-H2O]+ 194.955790 133.6
[M+HCOO]- 256.956731 153.0
[M+CH3COO]- 270.972381 148.8
[M+Na-2H]- 232.933196 142.5
[M]+ 211.95798142 150.9
[M]- 211.95907858 150.9
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