CID 15959103

(3z)-3-[(3,4-dichlorophenyl)methylene]-5-methyl-isobenzofuran-1-one

Structural Information

Molecular Formula
C16H10Cl2O2
SMILES
CC1=CC\2=C(C=C1)C(=O)O/C2=C\C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H10Cl2O2/c1-9-2-4-11-12(6-9)15(20-16(11)19)8-10-3-5-13(17)14(18)7-10/h2-8H,1H3/b15-8-
InChIKey
MUWUZTHECLKUHC-NVNXTCNLSA-N
Compound name
(3Z)-3-[(3,4-dichlorophenyl)methylidene]-5-methyl-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.0058 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.01308 167.6
[M+Na]+ 326.99502 180.2
[M-H]- 302.99852 176.0
[M+NH4]+ 322.03962 186.2
[M+K]+ 342.96896 173.4
[M+H-H2O]+ 287.00306 162.7
[M+HCOO]- 349.00400 180.5
[M+CH3COO]- 363.01965 180.7
[M+Na-2H]- 324.98047 169.6
[M]+ 304.00525 172.9
[M]- 304.00635 172.9
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.