CID 65500630

1-(2,6-dichlorophenyl)-5-oxopyrrolidine-3-carbonitrile

Structural Information

Molecular Formula
C11H8Cl2N2O
SMILES
C1C(CN(C1=O)C2=C(C=CC=C2Cl)Cl)C#N
InChI
InChI=1S/C11H8Cl2N2O/c12-8-2-1-3-9(13)11(8)15-6-7(5-14)4-10(15)16/h1-3,7H,4,6H2
InChIKey
OCTCREFCCVYHAW-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-5-oxopyrrolidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.00137 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00865 148.3
[M+Na]+ 276.99059 161.9
[M+NH4]+ 272.03519 153.7
[M+K]+ 292.96453 153.0
[M-H]- 252.99409 144.0
[M+Na-2H]- 274.97604 152.5
[M]+ 254.00082 148.7
[M]- 254.00192 148.7
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.