CID 218144

40281-29-6

Structural Information

Molecular Formula
C19H19Cl2NO
SMILES
C1CCN(C1)CC(C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H19Cl2NO/c20-16-7-3-14(4-8-16)18(13-22-11-1-2-12-22)19(23)15-5-9-17(21)10-6-15/h3-10,18H,1-2,11-13H2
InChIKey
CFDMSYBKKMEHJR-UHFFFAOYSA-N
Compound name
1,2-bis(4-chlorophenyl)-3-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.08438 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.09166 181.6
[M+Na]+ 370.07360 187.9
[M-H]- 346.07710 188.3
[M+NH4]+ 365.11820 195.8
[M+K]+ 386.04754 180.5
[M+H-H2O]+ 330.08164 173.1
[M+HCOO]- 392.08258 190.8
[M+CH3COO]- 406.09823 191.1
[M+Na-2H]- 368.05905 179.4
[M]+ 347.08383 182.1
[M]- 347.08493 182.1
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.