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 171.3
[M+Na]+ 352.97427 186.4
[M-H]- 328.97777 182.0
[M+NH4]+ 348.01887 188.5
[M+K]+ 368.94821 181.3
[M+H-H2O]+ 312.98231 165.7
[M+HCOO]- 374.98325 185.2
[M+CH3COO]- 388.99890 185.4
[M+Na-2H]- 350.95972 177.6
[M]+ 329.98450 181.5
[M]- 329.98560 181.5
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.