CID 2402041

5-amino-6-bromo-2,3-dihydro-1h-1,3-benzodiazol-2-one

Structural Information

Molecular Formula
C7H6BrN3O
SMILES
C1=C(C(=CC2=C1NC(=O)N2)Br)N
InChI
InChI=1S/C7H6BrN3O/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,9H2,(H2,10,11,12)
InChIKey
NWPYFCGHXZCCIN-UHFFFAOYSA-N
Compound name
5-amino-6-bromo-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

226.96942 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.976696 137.0
[M+Na]+ 249.958638 151.6
[M-H]- 225.962144 140.0
[M+NH4]+ 245.003243 157.7
[M+K]+ 265.932578 138.2
[M+H-H2O]+ 209.966680 136.7
[M+HCOO]- 271.967621 157.1
[M+CH3COO]- 285.983271 152.0
[M+Na-2H]- 247.944086 145.0
[M]+ 226.96887142 153.4
[M]- 226.96996858 153.4
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