CID 79631509

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

Structural Information

Molecular Formula
C7H4BrFN2O
SMILES
C1=C2C(=CC(=C1F)Br)NC(=O)N2
InChI
InChI=1S/C7H4BrFN2O/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12)
InChIKey
CNMPDOHZIMAEHD-UHFFFAOYSA-N
Compound name
5-bromo-6-fluoro-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

229.9491 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.95638 136.5
[M+Na]+ 252.93832 152.2
[M-H]- 228.94182 138.8
[M+NH4]+ 247.98292 157.7
[M+K]+ 268.91226 139.0
[M+H-H2O]+ 212.94636 136.2
[M+HCOO]- 274.94730 155.3
[M+CH3COO]- 288.96295 151.8
[M+Na-2H]- 250.92377 144.5
[M]+ 229.94855 153.6
[M]- 229.94965 153.6
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