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 151.8
[M+Na]+ 297.98379 162.6
[M-H]- 273.98729 159.6
[M+NH4]+ 293.02839 170.1
[M+K]+ 313.95773 151.0
[M+H-H2O]+ 257.99183 150.6
[M+HCOO]- 319.99277 172.2
[M+CH3COO]- 334.00842 194.5
[M+Na-2H]- 295.96924 159.5
[M]+ 274.99402 170.3
[M]- 274.99512 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