CID 5070814

301312-86-7

Structural Information

Molecular Formula
C19H12Cl6O4
SMILES
C1=CC(=C(C=C1Cl)Cl)C(=O)OCC2C(C2(Cl)Cl)COC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H12Cl6O4/c20-9-1-3-11(15(22)5-9)17(26)28-7-13-14(19(13,24)25)8-29-18(27)12-4-2-10(21)6-16(12)23/h1-6,13-14H,7-8H2
InChIKey
HZVQEOIBVGQSEZ-UHFFFAOYSA-N
Compound name
[2,2-dichloro-3-[(2,4-dichlorobenzoyl)oxymethyl]cyclopropyl]methyl 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

513.88666 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.89394 185.2
[M+Na]+ 536.87588 193.0
[M-H]- 512.87938 186.9
[M+NH4]+ 531.92048 190.0
[M+K]+ 552.84982 189.7
[M+H-H2O]+ 496.88392 181.7
[M+HCOO]- 558.88486 177.3
[M+CH3COO]- 572.90051 235.2
[M+Na-2H]- 534.86133 180.7
[M]+ 513.88611 190.3
[M]- 513.88721 190.3
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

No patent data available for this compound.