CID 1960022

2h-1-benzopyran-2-one, 6-chloro-4-(5-chloro-2-benzofuranyl)-

Structural Information

Molecular Formula
C17H8Cl2O3
SMILES
C1=CC2=C(C=C1Cl)C=C(O2)C3=CC(=O)OC4=C3C=C(C=C4)Cl
InChI
InChI=1S/C17H8Cl2O3/c18-10-1-3-14-9(5-10)6-16(21-14)13-8-17(20)22-15-4-2-11(19)7-12(13)15/h1-8H
InChIKey
FYSZZCKHCVODDJ-UHFFFAOYSA-N
Compound name
6-chloro-4-(5-chloro-1-benzofuran-2-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.98505 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.99233 167.8
[M+Na]+ 352.97427 188.5
[M+NH4]+ 348.01887 178.4
[M+K]+ 368.94821 180.2
[M-H]- 328.97777 176.4
[M+Na-2H]- 350.95972 176.6
[M]+ 329.98450 174.4
[M]- 329.98560 174.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.