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

1329
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 170.2
[M-H]- 283.04344 165.5
[M+NH4]+ 302.08454 178.0
[M+K]+ 323.01388 165.4
[M+H-H2O]+ 267.04798 152.5
[M+HCOO]- 329.04892 177.3
[M+CH3COO]- 343.06457 172.3
[M+Na-2H]- 305.02539 165.4
[M]+ 284.05017 166.2
[M]- 284.05127 166.2
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