CID 66877497

40644-16-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

211.95853 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

patents stripe