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

0
Patents

258.03265 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03993 156.9
[M+Na]+ 281.02187 164.8
[M-H]- 257.02537 161.3
[M+NH4]+ 276.06647 175.1
[M+K]+ 296.99581 159.2
[M+H-H2O]+ 241.02991 150.5
[M+HCOO]- 303.03085 169.4
[M+CH3COO]- 317.04650 192.4
[M+Na-2H]- 279.00732 158.2
[M]+ 258.03210 156.4
[M]- 258.03320 156.4
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

patents stripe