CID 142641092

858442-42-9

Structural Information

Molecular Formula
C14H14Cl4O4
SMILES
C1=CC=C(C(=C1)C(=O)OC(CCl)CCl)C(=O)OC(CCl)CCl
InChI
InChI=1S/C14H14Cl4O4/c15-5-9(6-16)21-13(19)11-3-1-2-4-12(11)14(20)22-10(7-17)8-18/h1-4,9-10H,5-8H2
InChIKey
AVOYSSYRFWPOOB-UHFFFAOYSA-N
Compound name
bis(1,3-dichloropropan-2-yl) benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

385.96463 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.97191 173.1
[M+Na]+ 408.95385 179.8
[M-H]- 384.95735 173.6
[M+NH4]+ 403.99845 186.0
[M+K]+ 424.92779 174.9
[M+H-H2O]+ 368.96189 170.2
[M+HCOO]- 430.96283 173.7
[M+CH3COO]- 444.97848 213.8
[M+Na-2H]- 406.93930 170.9
[M]+ 385.96408 179.8
[M]- 385.96518 179.8
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