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 149.1
[M+Na]+ 260.00849 162.1
[M-H]- 236.01199 154.9
[M+NH4]+ 255.05309 167.8
[M+K]+ 275.98243 156.1
[M+H-H2O]+ 220.01653 138.4
[M+HCOO]- 282.01747 163.5
[M+CH3COO]- 296.03312 196.2
[M+Na-2H]- 257.99394 153.3
[M]+ 237.01872 145.8
[M]- 237.01982 145.8
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.