CID 15959108

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

Structural Information

Molecular Formula
C16H10Cl2O3
SMILES
COC1=CC=C(C=C1)/C=C\2/C3=CC(=C(C=C3C(=O)O2)Cl)Cl
InChI
InChI=1S/C16H10Cl2O3/c1-20-10-4-2-9(3-5-10)6-15-11-7-13(17)14(18)8-12(11)16(19)21-15/h2-8H,1H3/b15-6-
InChIKey
UTPLZXDLFLSMHA-UUASQNMZSA-N
Compound name
(3Z)-5,6-dichloro-3-[(4-methoxyphenyl)methylidene]-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.0007 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.00798 170.2
[M+Na]+ 342.98992 182.6
[M-H]- 318.99342 178.7
[M+NH4]+ 338.03452 188.1
[M+K]+ 358.96386 176.5
[M+H-H2O]+ 302.99796 165.2
[M+HCOO]- 364.99890 183.3
[M+CH3COO]- 379.01455 183.2
[M+Na-2H]- 340.97537 172.4
[M]+ 320.00015 176.9
[M]- 320.00125 176.9
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.