CID 23266570

6-chloroapigenin

Structural Information

Molecular Formula
C15H9ClO5
SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)Cl)O)O
InChI
InChI=1S/C15H9ClO5/c16-14-10(19)6-12-13(15(14)20)9(18)5-11(21-12)7-1-3-8(17)4-2-7/h1-6,17,19-20H
InChIKey
FPZXJLZOPYXNPR-UHFFFAOYSA-N
Compound name
6-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.01385 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.02113 161.7
[M+Na]+ 327.00307 174.2
[M-H]- 303.00657 168.0
[M+NH4]+ 322.04767 176.1
[M+K]+ 342.97701 169.4
[M+H-H2O]+ 287.01111 155.9
[M+HCOO]- 349.01205 176.7
[M+CH3COO]- 363.02770 174.4
[M+Na-2H]- 324.98852 167.3
[M]+ 304.01330 166.5
[M]- 304.01440 166.5
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.