CID 2777115

4-(4-chlorobenzoyl)piperidine

Structural Information

Molecular Formula
C12H14ClNO
SMILES
C1CNCCC1C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H14ClNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-4,10,14H,5-8H2
InChIKey
IYGWDOXHCPQXKN-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-piperidin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

508
Patents

223.07639 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08367 148.5
[M+Na]+ 246.06561 154.1
[M-H]- 222.06911 151.4
[M+NH4]+ 241.11021 165.0
[M+K]+ 262.03955 148.9
[M+H-H2O]+ 206.07365 141.6
[M+HCOO]- 268.07459 161.2
[M+CH3COO]- 282.09024 184.0
[M+Na-2H]- 244.05106 151.8
[M]+ 223.07584 143.8
[M]- 223.07694 143.8
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.