CID 3071909

139266-55-0

Structural Information

Molecular Formula
C13H8Cl4O4
SMILES
COC(=O)C(C1(C(=O)C(=C(O1)C2=CC=C(C=C2)Cl)Cl)Cl)Cl
InChI
InChI=1S/C13H8Cl4O4/c1-20-12(19)10(16)13(17)11(18)8(15)9(21-13)6-2-4-7(14)5-3-6/h2-5,10H,1H3
InChIKey
XGHQYXJQUSVSAK-UHFFFAOYSA-N
Compound name
methyl 2-chloro-2-[2,4-dichloro-5-(4-chlorophenyl)-3-oxofuran-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.91766 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.92494 170.5
[M+Na]+ 390.90688 181.1
[M-H]- 366.91038 175.5
[M+NH4]+ 385.95148 186.5
[M+K]+ 406.88082 176.7
[M+H-H2O]+ 350.91492 168.0
[M+HCOO]- 412.91586 172.3
[M+CH3COO]- 426.93151 209.6
[M+Na-2H]- 388.89233 169.6
[M]+ 367.91711 176.4
[M]- 367.91821 176.4
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.