CID 473476

Dimethyl 9-oxoxanthene-2,5-dicarboxylate

Structural Information

Molecular Formula
C17H12O6
SMILES
COC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=CC=C3C(=O)OC
InChI
InChI=1S/C17H12O6/c1-21-16(19)9-6-7-13-12(8-9)14(18)10-4-3-5-11(15(10)23-13)17(20)22-2/h3-8H,1-2H3
InChIKey
BJZMWICVQHDCOL-UHFFFAOYSA-N
Compound name
dimethyl 9-oxoxanthene-2,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.0634 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07068 164.6
[M+Na]+ 335.05262 175.6
[M-H]- 311.05612 172.0
[M+NH4]+ 330.09722 180.2
[M+K]+ 351.02656 174.6
[M+H-H2O]+ 295.06066 157.0
[M+HCOO]- 357.06160 186.2
[M+CH3COO]- 371.07725 206.2
[M+Na-2H]- 333.03807 171.7
[M]+ 312.06285 173.5
[M]- 312.06395 173.5
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.