CID 81346

6928-67-2

Structural Information

Molecular Formula
C14H14Cl4O4
SMILES
CCCOC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OCCC
InChI
InChI=1S/C14H14Cl4O4/c1-3-5-21-13(19)7-8(14(20)22-6-4-2)10(16)12(18)11(17)9(7)15/h3-6H2,1-2H3
InChIKey
QJRSPJSHRYYBJL-UHFFFAOYSA-N
Compound name
dipropyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

385.96463 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.97191 173.2
[M+Na]+ 408.95385 183.4
[M-H]- 384.95735 174.5
[M+NH4]+ 403.99845 187.2
[M+K]+ 424.92779 178.1
[M+H-H2O]+ 368.96189 170.9
[M+HCOO]- 430.96283 175.3
[M+CH3COO]- 444.97848 216.8
[M+Na-2H]- 406.93930 170.4
[M]+ 385.96408 181.8
[M]- 385.96518 181.8
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

No patent data available for this compound.