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]+ 303.018536 162.5
[M+Na]+ 325.000478 171.6
[M-H]- 301.003984 169.4
[M+NH4]+ 320.045083 181.2
[M+K]+ 340.974418 167.7
[M+H-H2O]+ 285.008520 158.3
[M+HCOO]- 347.009461 174.8
[M+CH3COO]- 361.025111 196.4
[M+Na-2H]- 322.985926 165.1
[M]+ 302.01071142 167.7
[M]- 302.01180858 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.