CID 3019372

Ethyl 9-oxo-9h-thioxanthene-2-carboxylate

Structural Information

Molecular Formula
C16H12O3S
SMILES
CCOC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H12O3S/c1-2-19-16(18)10-7-8-14-12(9-10)15(17)11-5-3-4-6-13(11)20-14/h3-9H,2H2,1H3
InChIKey
PKUZBJXWIOTQFQ-UHFFFAOYSA-N
Compound name
ethyl 9-oxothioxanthene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1287
Patents

284.05072 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.05800 159.2
[M+Na]+ 307.03994 175.5
[M+NH4]+ 302.08454 168.9
[M+K]+ 323.01388 165.2
[M-H]- 283.04344 163.2
[M+Na-2H]- 305.02539 167.0
[M]+ 284.05017 163.4
[M]- 284.05127 163.4
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

patents stripe