CID 22729061

4-(3,4-dichlorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride

Structural Information

Molecular Formula
C11H11Cl2N
SMILES
C1CNCC=C1C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H11Cl2N/c12-10-2-1-9(7-11(10)13)8-3-5-14-6-4-8/h1-3,7,14H,4-6H2
InChIKey
OENHQMQUZYKXFG-UHFFFAOYSA-N
Compound name
4-(3,4-dichlorophenyl)-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

227.02686 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.03414 146.0
[M+Na]+ 250.01608 154.4
[M-H]- 226.01958 148.7
[M+NH4]+ 245.06068 163.3
[M+K]+ 265.99002 147.5
[M+H-H2O]+ 210.02412 140.0
[M+HCOO]- 272.02506 155.8
[M+CH3COO]- 286.04071 157.4
[M+Na-2H]- 248.00153 150.4
[M]+ 227.02631 143.7
[M]- 227.02741 143.7
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