CID 5273569

Fraxetin

Structural Information

Molecular Formula
C10H8O5
SMILES
COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)O
InChI
InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3
InChIKey
HAVWRBANWNTOJX-UHFFFAOYSA-N
Compound name
7,8-dihydroxy-6-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

108
References

1163
Patents

208.03717 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.044446 137.0
[M+Na]+ 231.026388 148.3
[M-H]- 207.029894 141.1
[M+NH4]+ 226.070993 155.1
[M+K]+ 247.000328 147.0
[M+H-H2O]+ 191.034430 131.6
[M+HCOO]- 253.035371 158.5
[M+CH3COO]- 267.051021 181.4
[M+Na-2H]- 229.011836 145.4
[M]+ 208.03662142 141.3
[M]- 208.03771858 141.3
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