CID 22719885

1-(4-bromophenyl)-2-(pyridin-2-yl)ethan-1-one

Structural Information

Molecular Formula
C13H10BrNO
SMILES
C1=CC=NC(=C1)CC(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C13H10BrNO/c14-11-6-4-10(5-7-11)13(16)9-12-3-1-2-8-15-12/h1-8H,9H2
InChIKey
XEBXAVNJDPUBTP-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-2-pyridin-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

274.99457 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.001846 151.8
[M+Na]+ 297.983788 162.6
[M-H]- 273.987294 159.6
[M+NH4]+ 293.028393 170.1
[M+K]+ 313.957728 151.0
[M+H-H2O]+ 257.991830 150.6
[M+HCOO]- 319.992771 172.2
[M+CH3COO]- 334.008421 194.5
[M+Na-2H]- 295.969236 159.5
[M]+ 274.99402142 170.3
[M]- 274.99511858 170.3
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