CID 470402

Methyl 9-oxoxanthene-2-carboxylate

Structural Information

Molecular Formula
C15H10O4
SMILES
COC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3C2=O
InChI
InChI=1S/C15H10O4/c1-18-15(17)9-6-7-13-11(8-9)14(16)10-4-2-3-5-12(10)19-13/h2-8H,1H3
InChIKey
KYTOGJKXWOZHFR-UHFFFAOYSA-N
Compound name
methyl 9-oxoxanthene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

254.0579 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06518 150.5
[M+Na]+ 277.04712 162.1
[M-H]- 253.05062 157.9
[M+NH4]+ 272.09172 168.7
[M+K]+ 293.02106 159.9
[M+H-H2O]+ 237.05516 143.5
[M+HCOO]- 299.05610 173.4
[M+CH3COO]- 313.07175 195.0
[M+Na-2H]- 275.03257 160.4
[M]+ 254.05735 156.9
[M]- 254.05845 156.9
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