CID 24229461

2-bromo-1-(1-methyl-1h-benzoimidazol-5-yl)-ethanone

Structural Information

Molecular Formula
C10H9BrN2O
SMILES
CN1C=NC2=C1C=CC(=C2)C(=O)CBr
InChI
InChI=1S/C10H9BrN2O/c1-13-6-12-8-4-7(10(14)5-11)2-3-9(8)13/h2-4,6H,5H2,1H3
InChIKey
DYGPOTZRQYSKSN-UHFFFAOYSA-N
Compound name
2-bromo-1-(1-methylbenzimidazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

251.98982 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.99710 148.2
[M+Na]+ 274.97904 152.5
[M+NH4]+ 270.02364 152.8
[M+K]+ 290.95298 153.5
[M-H]- 250.98254 147.9
[M+Na-2H]- 272.96449 151.2
[M]+ 251.98927 147.5
[M]- 251.99037 147.5
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