CID 5465338

Nsc646381

Structural Information

Molecular Formula
C16H8Cl2O4
SMILES
C1=CC2=C(C=C1O)OC(=CC2=O)C(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H8Cl2O4/c17-8-1-3-10(12(18)5-8)16(21)15-7-13(20)11-4-2-9(19)6-14(11)22-15/h1-7,19H
InChIKey
CANJQZFRAWCZJH-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorobenzoyl)-7-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.97995 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.98723 166.9
[M+Na]+ 356.96917 179.4
[M-H]- 332.97267 174.6
[M+NH4]+ 352.01377 181.6
[M+K]+ 372.94311 174.1
[M+H-H2O]+ 316.97721 161.4
[M+HCOO]- 378.97815 178.6
[M+CH3COO]- 392.99380 179.5
[M+Na-2H]- 354.95462 171.6
[M]+ 333.97940 173.9
[M]- 333.98050 173.9
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.