CID 6452094

47593-10-2

Structural Information

Molecular Formula
C18H14Cl4O6
SMILES
COC(=O)C1=CC(=C(C(=C1)Cl)OCCOC2=C(C=C(C=C2Cl)C(=O)OC)Cl)Cl
InChI
InChI=1S/C18H14Cl4O6/c1-25-17(23)9-5-11(19)15(12(20)6-9)27-3-4-28-16-13(21)7-10(8-14(16)22)18(24)26-2/h5-8H,3-4H2,1-2H3
InChIKey
SEJHPENBJIHBLA-UHFFFAOYSA-N
Compound name
methyl 3,5-dichloro-4-[2-(2,6-dichloro-4-methoxycarbonylphenoxy)ethoxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.95444 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.96172 188.4
[M+Na]+ 488.94366 198.6
[M-H]- 464.94716 193.0
[M+NH4]+ 483.98826 199.1
[M+K]+ 504.91760 194.5
[M+H-H2O]+ 448.95170 184.2
[M+HCOO]- 510.95264 191.1
[M+CH3COO]- 524.96829 228.6
[M+Na-2H]- 486.92911 185.8
[M]+ 465.95389 200.1
[M]- 465.95499 200.1
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.