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]+ 278.017496 151.0
[M+Na]+ 299.999438 163.8
[M-H]- 276.002944 159.5
[M+NH4]+ 295.044043 169.9
[M+K]+ 315.973378 151.8
[M+H-H2O]+ 260.007480 150.0
[M+HCOO]- 322.008421 172.3
[M+CH3COO]- 336.024071 195.9
[M+Na-2H]- 297.984886 158.5
[M]+ 277.00967142 170.8
[M]- 277.01076858 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.