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]+ 264.00185 146.8
[M+Na]+ 285.98379 159.2
[M-H]- 261.98729 155.1
[M+NH4]+ 281.02839 166.0
[M+K]+ 301.95773 147.4
[M+H-H2O]+ 245.99183 145.9
[M+HCOO]- 307.99277 168.5
[M+CH3COO]- 322.00842 192.0
[M+Na-2H]- 283.96924 155.5
[M]+ 262.99402 165.9
[M]- 262.99512 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.