CID 37019

34971-15-8

Structural Information

Molecular Formula
C11H8ClNO2
SMILES
C1CC(OC1=O)(C#N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H8ClNO2/c12-9-3-1-8(2-4-9)11(7-13)6-5-10(14)15-11/h1-4H,5-6H2
InChIKey
LFEPBYBABWRCTN-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-oxooxolane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.02435 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.031626 146.3
[M+Na]+ 244.013568 159.0
[M-H]- 220.017074 152.9
[M+NH4]+ 239.058173 165.9
[M+K]+ 259.987508 153.0
[M+H-H2O]+ 204.021610 135.0
[M+HCOO]- 266.022551 161.7
[M+CH3COO]- 280.038201 195.5
[M+Na-2H]- 241.999016 151.3
[M]+ 221.02380142 142.9
[M]- 221.02489858 142.9
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.