CID 3066310

109938-92-3

Structural Information

Molecular Formula
C19H20ClNO2
SMILES
C1CCN(C1)CC(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C19H20ClNO2/c20-17-11-5-4-10-16(17)19(22)23-18(14-21-12-6-7-13-21)15-8-2-1-3-9-15/h1-5,8-11,18H,6-7,12-14H2
InChIKey
GEOFLOQEKYEHFK-UHFFFAOYSA-N
Compound name
(1-phenyl-2-pyrrolidin-1-ylethyl) 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.11826 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12554 178.4
[M+Na]+ 352.10748 183.2
[M-H]- 328.11098 185.6
[M+NH4]+ 347.15208 192.5
[M+K]+ 368.08142 177.7
[M+H-H2O]+ 312.11552 169.3
[M+HCOO]- 374.11646 192.9
[M+CH3COO]- 388.13211 205.0
[M+Na-2H]- 350.09293 177.7
[M]+ 329.11771 178.4
[M]- 329.11881 178.4
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.