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

19
Patents

274.99457 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.00185 150.1
[M+Na]+ 297.98379 155.7
[M+NH4]+ 293.02839 155.3
[M+K]+ 313.95773 154.3
[M-H]- 273.98729 152.6
[M+Na-2H]- 295.96924 156.8
[M]+ 274.99402 150.6
[M]- 274.99512 150.6
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