CID 171118834

2',3,4',5,7-pentahydroxy-6-methylflavone

Structural Information

Molecular Formula
C16H12O7
SMILES
CC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=C(C=C(C=C3)O)O)O
InChI
InChI=1S/C16H12O7/c1-6-9(18)5-11-12(13(6)20)14(21)15(22)16(23-11)8-3-2-7(17)4-10(8)19/h2-5,17-20,22H,1H3
InChIKey
JLWLWZBJRPXTOC-UHFFFAOYSA-N
Compound name
2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0583 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06558 168.0
[M+Na]+ 339.04752 179.4
[M-H]- 315.05102 172.1
[M+NH4]+ 334.09212 179.7
[M+K]+ 355.02146 176.2
[M+H-H2O]+ 299.05556 161.2
[M+HCOO]- 361.05650 184.1
[M+CH3COO]- 375.07215 200.0
[M+Na-2H]- 337.03297 171.2
[M]+ 316.05775 170.9
[M]- 316.05885 170.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.