CID 54222687

Mri

Structural Information

Molecular Formula
C15H12O7
SMILES
C1=CC(=C(C=C1O)O)C2C(=O)C(C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C15H12O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,13,15-20H
InChIKey
QDSAUUOUBPKTKQ-UHFFFAOYSA-N
Compound name
2-(2,4-dihydroxyphenyl)-4,5,7-trihydroxy-4H-chromen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

26
Patents

304.0583 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06558 164.4
[M+Na]+ 327.04752 173.5
[M-H]- 303.05102 167.5
[M+NH4]+ 322.09212 176.2
[M+K]+ 343.02146 170.5
[M+H-H2O]+ 287.05556 157.9
[M+HCOO]- 349.05650 178.1
[M+CH3COO]- 363.07215 196.1
[M+Na-2H]- 325.03297 167.2
[M]+ 304.05775 163.9
[M]- 304.05885 163.9
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