CID 6481670

1-(4-bromophenyl)-2-(1h-imidazol-2-yl)ethanone

Structural Information

Molecular Formula
C11H9BrN2O
SMILES
C1=CC(=CC=C1C(=O)CC2=NC=CN2)Br
InChI
InChI=1S/C11H9BrN2O/c12-9-3-1-8(2-4-9)10(15)7-11-13-5-6-14-11/h1-6H,7H2,(H,13,14)
InChIKey
YSDVNEBDANWNNY-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-2-(1H-imidazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

263.98984 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.99712 150.1
[M+Na]+ 286.97906 161.5
[M-H]- 262.98256 155.8
[M+NH4]+ 282.02366 168.7
[M+K]+ 302.95300 149.5
[M+H-H2O]+ 246.98710 148.9
[M+HCOO]- 308.98804 169.4
[M+CH3COO]- 323.00369 188.9
[M+Na-2H]- 284.96451 155.9
[M]+ 263.98929 167.4
[M]- 263.99039 167.4
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