CID 3079173

3-cyano-5-(p-chlorophenyl)-5-hydroxytetrahydrofuran-2-one

Structural Information

Molecular Formula
C11H8ClNO3
SMILES
C1C(C(=O)OC1(C2=CC=C(C=C2)Cl)O)C#N
InChI
InChI=1S/C11H8ClNO3/c12-9-3-1-8(2-4-9)11(15)5-7(6-13)10(14)16-11/h1-4,7,15H,5H2
InChIKey
AYZXCAAMWZEXGU-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-5-hydroxy-2-oxooxolane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.01927 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02655 144.1
[M+Na]+ 260.00849 156.4
[M+NH4]+ 255.05309 150.0
[M+K]+ 275.98243 147.7
[M-H]- 236.01199 140.3
[M+Na-2H]- 257.99394 148.7
[M]+ 237.01872 144.3
[M]- 237.01982 144.3
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.