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]+ 255.008646 154.5
[M+Na]+ 276.990588 167.6
[M-H]- 252.994094 158.5
[M+NH4]+ 272.035193 171.6
[M+K]+ 292.964528 159.7
[M+H-H2O]+ 236.998630 142.2
[M+HCOO]- 298.999571 164.4
[M+CH3COO]- 313.015221 202.6
[M+Na-2H]- 274.976036 155.3
[M]+ 254.00082142 150.9
[M]- 254.00191858 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.