CID 15959109

(3z)-5,6-dichloro-3-[(2,4-dichlorophenyl)methylene]isobenzofuran-1-one

Structural Information

Molecular Formula
C15H6Cl4O2
SMILES
C1=CC(=C(C=C1Cl)Cl)/C=C\2/C3=CC(=C(C=C3C(=O)O2)Cl)Cl
InChI
InChI=1S/C15H6Cl4O2/c16-8-2-1-7(11(17)4-8)3-14-9-5-12(18)13(19)6-10(9)15(20)21-14/h1-6H/b14-3-
InChIKey
HXLKXHSSWUOFPU-BNNQUZSASA-N
Compound name
(3Z)-5,6-dichloro-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.9122 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.91948 178.4
[M+Na]+ 380.90142 191.2
[M-H]- 356.90492 183.6
[M+NH4]+ 375.94602 194.3
[M+K]+ 396.87536 184.2
[M+H-H2O]+ 340.90946 174.4
[M+HCOO]- 402.91040 180.1
[M+CH3COO]- 416.92605 189.0
[M+Na-2H]- 378.88687 177.4
[M]+ 357.91165 182.9
[M]- 357.91275 182.9
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.