CID 493302

9h-xanthen-9-one, 2-hydroxy-3,4-dimethoxy-

Structural Information

Molecular Formula
C15H12O5
SMILES
COC1=C(C=C2C(=C1OC)OC3=CC=CC=C3C2=O)O
InChI
InChI=1S/C15H12O5/c1-18-14-10(16)7-9-12(17)8-5-3-4-6-11(8)20-13(9)15(14)19-2/h3-7,16H,1-2H3
InChIKey
QRZSRGUYEIXKQV-UHFFFAOYSA-N
Compound name
2-hydroxy-3,4-dimethoxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

272.06848 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07576 155.0
[M+Na]+ 295.05770 167.6
[M-H]- 271.06120 161.6
[M+NH4]+ 290.10230 172.3
[M+K]+ 311.03164 165.6
[M+H-H2O]+ 255.06574 148.1
[M+HCOO]- 317.06668 177.2
[M+CH3COO]- 331.08233 197.8
[M+Na-2H]- 293.04315 164.2
[M]+ 272.06793 163.2
[M]- 272.06903 163.2
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