CID 13191750

87848-95-1

Structural Information

Molecular Formula
C13H10BrNO
SMILES
CC1=CC=C(C=C1)C(=O)C2=NC(=CC=C2)Br
InChI
InChI=1S/C13H10BrNO/c1-9-5-7-10(8-6-9)13(16)11-3-2-4-12(14)15-11/h2-8H,1H3
InChIKey
GPAAZRAEAPEXOR-UHFFFAOYSA-N
Compound name
(6-bromopyridin-2-yl)-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

274.99457 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.00185 149.6
[M+Na]+ 297.98379 155.6
[M+NH4]+ 293.02839 154.8
[M+K]+ 313.95773 154.3
[M-H]- 273.98729 152.2
[M+Na-2H]- 295.96924 156.1
[M]+ 274.99402 150.2
[M]- 274.99512 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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