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]+ 264.997116 150.1
[M+Na]+ 286.979058 161.5
[M-H]- 262.982564 155.8
[M+NH4]+ 282.023663 168.7
[M+K]+ 302.952998 149.5
[M+H-H2O]+ 246.987100 148.9
[M+HCOO]- 308.988041 169.4
[M+CH3COO]- 323.003691 188.9
[M+Na-2H]- 284.964506 155.9
[M]+ 263.98929142 167.4
[M]- 263.99038858 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