CID 64236614

3-bromo-1-(3,4-dichlorophenyl)piperidin-2-one

Structural Information

Molecular Formula
C11H10BrCl2NO
SMILES
C1CC(C(=O)N(C1)C2=CC(=C(C=C2)Cl)Cl)Br
InChI
InChI=1S/C11H10BrCl2NO/c12-8-2-1-5-15(11(8)16)7-3-4-9(13)10(14)6-7/h3-4,6,8H,1-2,5H2
InChIKey
UJGKWAZDRNQXCN-UHFFFAOYSA-N
Compound name
3-bromo-1-(3,4-dichlorophenyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.93228 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.93956 156.7
[M+Na]+ 343.92150 169.9
[M-H]- 319.92500 163.9
[M+NH4]+ 338.96610 175.3
[M+K]+ 359.89544 155.7
[M+H-H2O]+ 303.92954 157.2
[M+HCOO]- 365.93048 165.3
[M+CH3COO]- 379.94613 200.0
[M+Na-2H]- 341.90695 160.7
[M]+ 320.93173 174.9
[M]- 320.93283 174.9
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.