CID 71756263

4-[(2,5-dichlorophenyl)methylidene]piperidine hydrochloride

Structural Information

Molecular Formula
C12H13Cl2N
SMILES
C1CNCCC1=CC2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C12H13Cl2N/c13-11-1-2-12(14)10(8-11)7-9-3-5-15-6-4-9/h1-2,7-8,15H,3-6H2
InChIKey
JBWLXUYSQGHSHS-UHFFFAOYSA-N
Compound name
4-[(2,5-dichlorophenyl)methylidene]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.04251 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04979 151.9
[M+Na]+ 264.03173 159.3
[M-H]- 240.03523 154.2
[M+NH4]+ 259.07633 168.6
[M+K]+ 280.00567 151.7
[M+H-H2O]+ 224.03977 145.8
[M+HCOO]- 286.04071 160.2
[M+CH3COO]- 300.05636 162.5
[M+Na-2H]- 262.01718 154.8
[M]+ 241.04196 147.8
[M]- 241.04306 147.8
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.