CID 7020

Xanthone

Structural Information

Molecular Formula
C13H8O2
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
InChIKey
JNELGWHKGNBSMD-UHFFFAOYSA-N
Compound name
xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

697
References

41250
Patents

196.05243 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05971 135.0
[M+Na]+ 219.04165 146.9
[M-H]- 195.04515 142.4
[M+NH4]+ 214.08625 155.6
[M+K]+ 235.01559 143.9
[M+H-H2O]+ 179.04969 128.7
[M+HCOO]- 241.05063 159.2
[M+CH3COO]- 255.06628 150.4
[M+Na-2H]- 217.02710 147.9
[M]+ 196.05188 138.9
[M]- 196.05298 138.9
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.