CID 53427709

(6-bromo-2-pyridinyl)-(2-methylphenyl)methanone

Structural Information

Molecular Formula
C13H10BrNO
SMILES
CC1=CC=CC=C1C(=O)C2=NC(=CC=C2)Br
InChI
InChI=1S/C13H10BrNO/c1-9-5-2-3-6-10(9)13(16)11-7-4-8-12(14)15-11/h2-8H,1H3
InChIKey
MRUFTCKVHDFRNG-UHFFFAOYSA-N
Compound name
(6-bromo-2-pyridinyl)-(2-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.99457 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.001846 151.3
[M+Na]+ 297.983788 163.0
[M-H]- 273.987294 159.5
[M+NH4]+ 293.028393 169.9
[M+K]+ 313.957728 151.4
[M+H-H2O]+ 257.991830 150.3
[M+HCOO]- 319.992771 171.7
[M+CH3COO]- 334.008421 195.5
[M+Na-2H]- 295.969236 158.4
[M]+ 274.99402142 170.1
[M]- 274.99511858 170.1
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

No patent data available for this compound.