CID 51925

2',6'-dichloro-2-pyrrolidinoacetanilide

Structural Information

Molecular Formula
C12H14Cl2N2O
SMILES
C1CC(NC1)CC(=O)NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C12H14Cl2N2O/c13-9-4-1-5-10(14)12(9)16-11(17)7-8-3-2-6-15-8/h1,4-5,8,15H,2-3,6-7H2,(H,16,17)
InChIKey
PWTKJEDLCFLEMM-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-2-pyrrolidin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0483 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.05558 161.1
[M+Na]+ 295.03752 168.1
[M-H]- 271.04102 164.0
[M+NH4]+ 290.08212 178.0
[M+K]+ 311.01146 161.4
[M+H-H2O]+ 255.04556 154.8
[M+HCOO]- 317.04650 171.8
[M+CH3COO]- 331.06215 193.5
[M+Na-2H]- 293.02297 161.6
[M]+ 272.04775 159.2
[M]- 272.04885 159.2
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.