CID 3079173

124500-03-4

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]+ 238.026546 149.1
[M+Na]+ 260.008488 162.1
[M-H]- 236.011994 154.9
[M+NH4]+ 255.053093 167.8
[M+K]+ 275.982428 156.1
[M+H-H2O]+ 220.016530 138.4
[M+HCOO]- 282.017471 163.5
[M+CH3COO]- 296.033121 196.2
[M+Na-2H]- 257.993936 153.3
[M]+ 237.01872142 145.8
[M]- 237.01981858 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.