CID 13163026

(3z)-3-benzylidene-5,6-dichloro-isobenzofuran-1-one

Structural Information

Molecular Formula
C15H8Cl2O2
SMILES
C1=CC=C(C=C1)/C=C\2/C3=CC(=C(C=C3C(=O)O2)Cl)Cl
InChI
InChI=1S/C15H8Cl2O2/c16-12-7-10-11(8-13(12)17)15(18)19-14(10)6-9-4-2-1-3-5-9/h1-8H/b14-6-
InChIKey
MHCIFKHKXLGZQF-NSIKDUERSA-N
Compound name
(3Z)-3-benzylidene-5,6-dichloro-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.99014 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.99742 163.1
[M+Na]+ 312.97936 175.3
[M-H]- 288.98286 171.3
[M+NH4]+ 308.02396 182.0
[M+K]+ 328.95330 168.7
[M+H-H2O]+ 272.98740 158.1
[M+HCOO]- 334.98834 176.3
[M+CH3COO]- 349.00399 176.3
[M+Na-2H]- 310.96481 166.3
[M]+ 289.98959 167.6
[M]- 289.99069 167.6
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.