CID 781623

35640-08-5

Structural Information

Molecular Formula

C₁₁H₁₂Cl₂N₂O

SMILES

C1CCN(C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C11H12Cl2N2O/c12-9-4-3-8(7-10(9)13)14-11(16)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H,14,16)

InChIKey

CGYRALALOIPHLN-UHFFFAOYSA-N

Compound name

N-(3,4-dichlorophenyl)pyrrolidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 258.03265 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.039926	156.9
[M+Na]+	281.021868	164.8
[M-H]-	257.025374	161.3
[M+NH4]+	276.066473	175.1
[M+K]+	296.995808	159.2
[M+H-H2O]+	241.029910	150.5
[M+HCOO]-	303.030851	169.4
[M+CH3COO]-	317.046501	192.4
[M+Na-2H]-	279.007316	158.2
[M]+	258.03210142	156.4
[M]-	258.03319858	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe