CID 5280443

Apigenin

Structural Information

Molecular Formula
C15H10O5
SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
InChIKey
KZNIFHPLKGYRTM-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

4261
References

30657
Patents

270.05283 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06011 155.9
[M+Na]+ 293.04205 166.7
[M-H]- 269.04555 161.9
[M+NH4]+ 288.08665 170.4
[M+K]+ 309.01599 163.2
[M+H-H2O]+ 253.05009 149.0
[M+HCOO]- 315.05103 175.4
[M+CH3COO]- 329.06668 168.6
[M+Na-2H]- 291.02750 162.6
[M]+ 270.05228 157.9
[M]- 270.05338 157.9
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