CID 71034

2-methoxyxanthen-9-one

Structural Information

Molecular Formula
C14H10O3
SMILES
COC1=CC2=C(C=C1)OC3=CC=CC=C3C2=O
InChI
InChI=1S/C14H10O3/c1-16-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)17-13/h2-8H,1H3
InChIKey
DVZCOQQFPCMIPO-UHFFFAOYSA-N
Compound name
2-methoxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

859
Patents

226.06299 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07027 143.4
[M+Na]+ 249.05221 155.6
[M-H]- 225.05571 150.9
[M+NH4]+ 244.09681 162.9
[M+K]+ 265.02615 153.1
[M+H-H2O]+ 209.06025 136.6
[M+HCOO]- 271.06119 167.3
[M+CH3COO]- 285.07684 158.5
[M+Na-2H]- 247.03766 155.0
[M]+ 226.06244 149.4
[M]- 226.06354 149.4
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