CID 215113

34971-21-6

Structural Information

Molecular Formula
C13H12Cl2O4
SMILES
C1CC(OC1=O)(C2=CC=C(C=C2)Cl)C(=O)OCCCl
InChI
InChI=1S/C13H12Cl2O4/c14-7-8-18-12(17)13(6-5-11(16)19-13)9-1-3-10(15)4-2-9/h1-4H,5-8H2
InChIKey
SQXCJOYBHWMRGU-UHFFFAOYSA-N
Compound name
2-chloroethyl 2-(4-chlorophenyl)-5-oxooxolane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.01126 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.01854 162.5
[M+Na]+ 325.00048 171.6
[M-H]- 301.00398 169.4
[M+NH4]+ 320.04508 181.2
[M+K]+ 340.97442 167.7
[M+H-H2O]+ 285.00852 158.3
[M+HCOO]- 347.00946 174.8
[M+CH3COO]- 361.02511 196.4
[M+Na-2H]- 322.98593 165.1
[M]+ 302.01071 167.7
[M]- 302.01181 167.7
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.