CID 218142

40281-28-5

Structural Information

Molecular Formula
C19H19Cl2NO
SMILES
C1CCN(C1)CC(C2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C19H19Cl2NO/c20-17-9-3-1-7-14(17)16(13-22-11-5-6-12-22)19(23)15-8-2-4-10-18(15)21/h1-4,7-10,16H,5-6,11-13H2
InChIKey
LVKZKZYZEAYRBR-UHFFFAOYSA-N
Compound name
1,2-bis(2-chlorophenyl)-3-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 348.091656 181.6
[M+Na]+ 370.073598 187.9
[M-H]- 346.077104 188.3
[M+NH4]+ 365.118203 195.8
[M+K]+ 386.047538 180.5
[M+H-H2O]+ 330.081640 173.1
[M+HCOO]- 392.082581 190.8
[M+CH3COO]- 406.098231 191.1
[M+Na-2H]- 368.059046 179.4
[M]+ 347.08383142 182.1
[M]- 347.08492858 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.