CID 4408836

O,o'-ethylene bis(3-chloropropionate)

Structural Information

Molecular Formula
C8H12Cl2O4
SMILES
C(CCl)C(=O)OCCOC(=O)CCCl
InChI
InChI=1S/C8H12Cl2O4/c9-3-1-7(11)13-5-6-14-8(12)2-4-10/h1-6H2
InChIKey
BYAAJQODLNAQQQ-UHFFFAOYSA-N
Compound name
2-(3-chloropropanoyloxy)ethyl 3-chloropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

242.01126 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.01854 146.2
[M+Na]+ 265.00048 154.1
[M-H]- 241.00398 145.9
[M+NH4]+ 260.04508 165.1
[M+K]+ 280.97442 151.0
[M+H-H2O]+ 225.00852 143.2
[M+HCOO]- 287.00946 159.5
[M+CH3COO]- 301.02511 188.1
[M+Na-2H]- 262.98593 149.1
[M]+ 242.01071 154.0
[M]- 242.01181 154.0
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

patents stripe