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 154.5
[M+Na]+ 276.99059 167.6
[M-H]- 252.99409 158.5
[M+NH4]+ 272.03519 171.6
[M+K]+ 292.96453 159.7
[M+H-H2O]+ 236.99863 142.2
[M+HCOO]- 298.99957 164.4
[M+CH3COO]- 313.01522 202.6
[M+Na-2H]- 274.97604 155.3
[M]+ 254.00082 150.9
[M]- 254.00192 150.9
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.