CID 215110

34971-17-0

Structural Information

Molecular Formula
C11H9ClO4
SMILES
C1CC(=O)OC1C(=O)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H9ClO4/c12-7-1-3-8(4-2-7)15-11(14)9-5-6-10(13)16-9/h1-4,9H,5-6H2
InChIKey
KJLRZIRITYMUHF-UHFFFAOYSA-N
Compound name
(4-chlorophenyl) 5-oxooxolane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.01894 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.026216 148.3
[M+Na]+ 263.008158 156.9
[M-H]- 239.011664 155.9
[M+NH4]+ 258.052763 167.0
[M+K]+ 278.982098 154.8
[M+H-H2O]+ 223.016200 143.1
[M+HCOO]- 285.017141 166.3
[M+CH3COO]- 299.032791 186.4
[M+Na-2H]- 260.993606 151.4
[M]+ 240.01839142 151.4
[M]- 240.01948858 151.4
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.