CID 3080100

Brn 3624826

Structural Information

Molecular Formula
C14H11Cl3O4
SMILES
CC1=CC=C(C=C1)C2=C(C(=O)C(O2)(C(C(=O)OC)Cl)Cl)Cl
InChI
InChI=1S/C14H11Cl3O4/c1-7-3-5-8(6-4-7)10-9(15)12(18)14(17,21-10)11(16)13(19)20-2/h3-6,11H,1-2H3
InChIKey
DZLNGVPJQWUUPW-UHFFFAOYSA-N
Compound name
methyl 2-chloro-2-[2,4-dichloro-5-(4-methylphenyl)-3-oxofuran-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.9723 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.97958 169.0
[M+Na]+ 370.96152 182.8
[M+NH4]+ 366.00612 177.5
[M+K]+ 386.93546 176.4
[M-H]- 346.96502 171.9
[M+Na-2H]- 368.94697 175.2
[M]+ 347.97175 172.7
[M]- 347.97285 172.7
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.