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]+ 222.03163 146.3
[M+Na]+ 244.01357 159.0
[M-H]- 220.01707 152.9
[M+NH4]+ 239.05817 165.9
[M+K]+ 259.98751 153.0
[M+H-H2O]+ 204.02161 135.0
[M+HCOO]- 266.02255 161.7
[M+CH3COO]- 280.03820 195.5
[M+Na-2H]- 241.99902 151.3
[M]+ 221.02380 142.9
[M]- 221.02490 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.