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

29
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 145.5
[M+Na]+ 274.97904 159.7
[M-H]- 250.98254 151.1
[M+NH4]+ 270.02364 167.0
[M+K]+ 290.95298 148.6
[M+H-H2O]+ 234.98708 145.1
[M+HCOO]- 296.98802 166.4
[M+CH3COO]- 311.00367 191.0
[M+Na-2H]- 272.96449 153.1
[M]+ 251.98927 167.2
[M]- 251.99037 167.2
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