CID 5491795

Milimorin

Structural Information

Molecular Formula
C16H12O7
SMILES
COC1=CC(=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
InChI
InChI=1S/C16H12O7/c1-22-8-2-3-9(10(18)6-8)16-15(21)14(20)13-11(19)4-7(17)5-12(13)23-16/h2-6,17-19,21H,1H3
InChIKey
FIIRWIFMLHSBSP-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-2-(2-hydroxy-4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 167.0
[M+Na]+ 339.04752 178.0
[M-H]- 315.05102 172.1
[M+NH4]+ 334.09212 179.1
[M+K]+ 355.02146 175.4
[M+H-H2O]+ 299.05556 159.7
[M+HCOO]- 361.05650 184.7
[M+CH3COO]- 375.07215 200.4
[M+Na-2H]- 337.03297 171.5
[M]+ 316.05775 171.2
[M]- 316.05885 171.2
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