CID 82184447

4-bromo-6-methyl-2,3-dihydro-1h-1,3-benzodiazol-2-one

Structural Information

Molecular Formula
C8H7BrN2O
SMILES
CC1=CC2=C(C(=C1)Br)NC(=O)N2
InChI
InChI=1S/C8H7BrN2O/c1-4-2-5(9)7-6(3-4)10-8(12)11-7/h2-3H,1H3,(H2,10,11,12)
InChIKey
FYBZHJVKBRGJRF-UHFFFAOYSA-N
Compound name
4-bromo-6-methyl-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.97418 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.981456 137.7
[M+Na]+ 248.963398 153.0
[M-H]- 224.966904 141.2
[M+NH4]+ 244.008003 159.2
[M+K]+ 264.937338 140.0
[M+H-H2O]+ 208.971440 138.2
[M+HCOO]- 270.972381 157.2
[M+CH3COO]- 284.988031 153.2
[M+Na-2H]- 246.948846 145.8
[M]+ 225.97363142 156.1
[M]- 225.97472858 156.1
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

No patent data available for this compound.