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]+ 227.97670 137.0
[M+Na]+ 249.95864 151.6
[M-H]- 225.96214 140.0
[M+NH4]+ 245.00324 157.7
[M+K]+ 265.93258 138.2
[M+H-H2O]+ 209.96668 136.7
[M+HCOO]- 271.96762 157.1
[M+CH3COO]- 285.98327 152.0
[M+Na-2H]- 247.94409 145.0
[M]+ 226.96887 153.4
[M]- 226.96997 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