CID 5391151

7-hydroxy-3-methylflavone

Structural Information

Molecular Formula
C16H12O3
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C16H12O3/c1-10-15(18)13-8-7-12(17)9-14(13)19-16(10)11-5-3-2-4-6-11/h2-9,17H,1H3
InChIKey
SUNCCQBNDWHMPR-UHFFFAOYSA-N
Compound name
7-hydroxy-3-methyl-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

252.07864 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08592 153.5
[M+Na]+ 275.06786 164.3
[M-H]- 251.07136 161.7
[M+NH4]+ 270.11246 170.1
[M+K]+ 291.04180 160.7
[M+H-H2O]+ 235.07590 146.2
[M+HCOO]- 297.07684 175.4
[M+CH3COO]- 311.09249 167.1
[M+Na-2H]- 273.05331 161.1
[M]+ 252.07809 156.0
[M]- 252.07919 156.0
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