CID 265709

70460-53-6

Structural Information

Molecular Formula
C17H15ClO5
SMILES
COC1(C(C(=O)C2=CC=CC=C2O1)(O)OC)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H15ClO5/c1-21-16(20)15(19)13-5-3-4-6-14(13)23-17(16,22-2)11-7-9-12(18)10-8-11/h3-10,20H,1-2H3
InChIKey
FIVBZLREOKLZCF-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-3-hydroxy-2,3-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.0608 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.06808 170.4
[M+Na]+ 357.05002 181.2
[M-H]- 333.05352 178.3
[M+NH4]+ 352.09462 188.4
[M+K]+ 373.02396 178.3
[M+H-H2O]+ 317.05806 164.2
[M+HCOO]- 379.05900 185.0
[M+CH3COO]- 393.07465 204.4
[M+Na-2H]- 355.03547 177.9
[M]+ 334.06025 176.6
[M]- 334.06135 176.6
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.