CID 138039794

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

Structural Information

Molecular Formula
C13H12BrNO
SMILES
CN1C=CC(=C(C1=O)CC2=CC=CC=C2)Br
InChI
InChI=1S/C13H12BrNO/c1-15-8-7-12(14)11(13(15)16)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKey
VHGOMOOUJSFXIP-UHFFFAOYSA-N
Compound name
3-benzyl-4-bromo-1-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.01022 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.01750 151.0
[M+Na]+ 299.99944 163.8
[M-H]- 276.00294 159.5
[M+NH4]+ 295.04404 169.9
[M+K]+ 315.97338 151.8
[M+H-H2O]+ 260.00748 150.0
[M+HCOO]- 322.00842 172.3
[M+CH3COO]- 336.02407 195.9
[M+Na-2H]- 297.98489 158.5
[M]+ 277.00967 170.8
[M]- 277.01077 170.8
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.