CID 137965676

1-benzyl-2-bromo-1,4-dihydropyridin-4-one

Structural Information

Molecular Formula
C12H10BrNO
SMILES
C1=CC=C(C=C1)CN2C=CC(=O)C=C2Br
InChI
InChI=1S/C12H10BrNO/c13-12-8-11(15)6-7-14(12)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey
ILPJWGCRAKGLFZ-UHFFFAOYSA-N
Compound name
1-benzyl-2-bromopyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.99457 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.001846 146.8
[M+Na]+ 285.983788 159.2
[M-H]- 261.987294 155.1
[M+NH4]+ 281.028393 166.0
[M+K]+ 301.957728 147.4
[M+H-H2O]+ 245.991830 145.9
[M+HCOO]- 307.992771 168.5
[M+CH3COO]- 322.008421 192.0
[M+Na-2H]- 283.969236 155.5
[M]+ 262.99402142 165.9
[M]- 262.99511858 165.9
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.