CID 215111

34971-19-2

Structural Information

Molecular Formula
C12H11ClO4
SMILES
COC(=O)C1(CCC(=O)O1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H11ClO4/c1-16-11(15)12(7-6-10(14)17-12)8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3
InChIKey
DLXWKAHIUKMDIQ-UHFFFAOYSA-N
Compound name
methyl 2-(4-chlorophenyl)-5-oxooxolane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.03459 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.04187 151.3
[M+Na]+ 277.02381 160.6
[M-H]- 253.02731 159.2
[M+NH4]+ 272.06841 171.6
[M+K]+ 292.99775 158.4
[M+H-H2O]+ 237.03185 146.8
[M+HCOO]- 299.03279 169.1
[M+CH3COO]- 313.04844 188.9
[M+Na-2H]- 275.00926 155.3
[M]+ 254.03404 155.1
[M]- 254.03514 155.1
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.