CID 66820139

5-bromo-6-fluoro-2-methyl-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C8H6BrFN2
SMILES
CC1=NC2=CC(=C(C=C2N1)F)Br
InChI
InChI=1S/C8H6BrFN2/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,1H3,(H,11,12)
InChIKey
LQUQFKLVEZSIDG-UHFFFAOYSA-N
Compound name
5-bromo-6-fluoro-2-methyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

227.96983 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.977106 138.4
[M+Na]+ 250.959048 154.1
[M-H]- 226.962554 142.0
[M+NH4]+ 246.003653 160.6
[M+K]+ 266.932988 141.7
[M+H-H2O]+ 210.967090 138.0
[M+HCOO]- 272.968031 158.1
[M+CH3COO]- 286.983681 154.2
[M+Na-2H]- 248.944496 146.4
[M]+ 227.96928142 157.0
[M]- 227.97037858 157.0
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