CID 5747331

Brn 5445751

Structural Information

Molecular Formula
C15H8Cl2O4
SMILES
C1=CC2=C(C=C1O)OC=C(C2=O)OC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H8Cl2O4/c16-8-1-4-12(11(17)5-8)21-14-7-20-13-6-9(18)2-3-10(13)15(14)19/h1-7,18H
InChIKey
ACYPLYZYFPYPNS-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenoxy)-7-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

321.97995 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.98723 163.9
[M+Na]+ 344.96917 176.9
[M-H]- 320.97267 171.6
[M+NH4]+ 340.01377 179.3
[M+K]+ 360.94311 171.8
[M+H-H2O]+ 304.97721 158.2
[M+HCOO]- 366.97815 176.7
[M+CH3COO]- 380.99380 177.0
[M+Na-2H]- 342.95462 170.2
[M]+ 321.97940 171.7
[M]- 321.98050 171.7
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

patents stripe