CID 24027

2,2-bis(p-chlorophenyl)-4-(2-piperidyl)-1,3-dioxolane hydrochloride

Structural Information

Molecular Formula
C20H21Cl2NO2
SMILES
C1CCNC(C1)C2COC(O2)(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H21Cl2NO2/c21-16-8-4-14(5-9-16)20(15-6-10-17(22)11-7-15)24-13-19(25-20)18-3-1-2-12-23-18/h4-11,18-19,23H,1-3,12-13H2
InChIKey
MJKKUMANANUBGF-UHFFFAOYSA-N
Compound name
2-[2,2-bis(4-chlorophenyl)-1,3-dioxolan-4-yl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.09494 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.10222 189.8
[M+Na]+ 400.08416 195.8
[M-H]- 376.08766 199.0
[M+NH4]+ 395.12876 201.1
[M+K]+ 416.05810 190.3
[M+H-H2O]+ 360.09220 180.8
[M+HCOO]- 422.09314 194.2
[M+CH3COO]- 436.10879 198.3
[M+Na-2H]- 398.06961 189.1
[M]+ 377.09439 187.1
[M]- 377.09549 187.1
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.