CID 699662

Methyl 9h-xanthene-9-carboxylate

Structural Information

Molecular Formula
C15H12O3
SMILES
COC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13
InChI
InChI=1S/C15H12O3/c1-17-15(16)14-10-6-2-4-8-12(10)18-13-9-5-3-7-11(13)14/h2-9,14H,1H3
InChIKey
RFHABUQANXJNQS-UHFFFAOYSA-N
Compound name
methyl 9H-xanthene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

493
Patents

240.07864 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 149.9
[M+Na]+ 263.06786 158.3
[M-H]- 239.07136 156.0
[M+NH4]+ 258.11246 168.2
[M+K]+ 279.04180 156.3
[M+H-H2O]+ 223.07590 142.9
[M+HCOO]- 285.07684 169.6
[M+CH3COO]- 299.09249 162.9
[M+Na-2H]- 261.05331 158.5
[M]+ 240.07809 152.2
[M]- 240.07919 152.2
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