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

19
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

literature stripe

Patent stripe

patents stripe