CID 22313527

3-bromo-1-(4-bromophenyl)piperidin-2-one

Structural Information

Molecular Formula
C11H11Br2NO
SMILES
C1CC(C(=O)N(C1)C2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C11H11Br2NO/c12-8-3-5-9(6-4-8)14-7-1-2-10(13)11(14)15/h3-6,10H,1-2,7H2
InChIKey
DKEYXLYPWCGDJW-UHFFFAOYSA-N
Compound name
3-bromo-1-(4-bromophenyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

330.92075 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.92803 148.3
[M+Na]+ 353.90997 158.0
[M-H]- 329.91347 156.1
[M+NH4]+ 348.95457 165.5
[M+K]+ 369.88391 143.0
[M+H-H2O]+ 313.91801 156.2
[M+HCOO]- 375.91895 161.6
[M+CH3COO]- 389.93460 207.4
[M+Na-2H]- 351.89542 154.0
[M]+ 330.92020 179.6
[M]- 330.92130 179.6
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

patents stripe