CID 15959107

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

Structural Information

Molecular Formula
C15H7Cl3O2
SMILES
C1=CC=C(C(=C1)/C=C\2/C3=CC(=C(C=C3C(=O)O2)Cl)Cl)Cl
InChI
InChI=1S/C15H7Cl3O2/c16-11-4-2-1-3-8(11)5-14-9-6-12(17)13(18)7-10(9)15(19)20-14/h1-7H/b14-5-
InChIKey
PZKPMDQLHMRZKM-RZNTYIFUSA-N
Compound name
(3Z)-5,6-dichloro-3-[(2-chlorophenyl)methylidene]-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.95117 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.95845 170.7
[M+Na]+ 346.94039 183.5
[M-H]- 322.94389 177.7
[M+NH4]+ 341.98499 188.4
[M+K]+ 362.91433 176.4
[M+H-H2O]+ 306.94843 166.3
[M+HCOO]- 368.94937 178.3
[M+CH3COO]- 382.96502 182.9
[M+Na-2H]- 344.92584 172.0
[M]+ 323.95062 175.8
[M]- 323.95172 175.8
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.