CID 65500246

3-bromo-1-(4-bromo-2,6-dimethylphenyl)piperidin-2-one

Structural Information

Molecular Formula
C13H15Br2NO
SMILES
CC1=CC(=CC(=C1N2CCCC(C2=O)Br)C)Br
InChI
InChI=1S/C13H15Br2NO/c1-8-6-10(14)7-9(2)12(8)16-5-3-4-11(15)13(16)17/h6-7,11H,3-5H2,1-2H3
InChIKey
PWWKLRRYBIGWMU-UHFFFAOYSA-N
Compound name
3-bromo-1-(4-bromo-2,6-dimethylphenyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.95203 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.95931 155.3
[M+Na]+ 381.94125 165.6
[M-H]- 357.94475 163.3
[M+NH4]+ 376.98585 172.0
[M+K]+ 397.91519 150.1
[M+H-H2O]+ 341.94929 162.9
[M+HCOO]- 403.95023 168.0
[M+CH3COO]- 417.96588 213.7
[M+Na-2H]- 379.92670 159.0
[M]+ 358.95148 187.6
[M]- 358.95258 187.6
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.