CID 466293

6-chloro-3-hydroxy-2-(4-methoxyphenyl)chromen-4-one

Structural Information

Molecular Formula
C16H11ClO4
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)O
InChI
InChI=1S/C16H11ClO4/c1-20-11-5-2-9(3-6-11)16-15(19)14(18)12-8-10(17)4-7-13(12)21-16/h2-8,19H,1H3
InChIKey
OSHAVRCRDOTVTH-UHFFFAOYSA-N
Compound name
6-chloro-3-hydroxy-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

302.03458 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.04186 163.2
[M+Na]+ 325.02380 175.4
[M-H]- 301.02730 171.5
[M+NH4]+ 320.06840 178.9
[M+K]+ 340.99774 171.1
[M+H-H2O]+ 285.03184 156.5
[M+HCOO]- 347.03278 180.6
[M+CH3COO]- 361.04843 176.6
[M+Na-2H]- 323.00925 169.7
[M]+ 302.03403 169.9
[M]- 302.03513 169.9
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

patents stripe