CID 3019853

84434-05-9

Structural Information

Molecular Formula
C15H10O4S
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)OCC(=O)O
InChI
InChI=1S/C15H10O4S/c16-14(17)8-19-9-5-6-13-11(7-9)15(18)10-3-1-2-4-12(10)20-13/h1-7H,8H2,(H,16,17)
InChIKey
LJUKODJASZSKFL-UHFFFAOYSA-N
Compound name
2-(9-oxothioxanthen-2-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

270
Patents

286.02997 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.03725 158.1
[M+Na]+ 309.01919 173.6
[M+NH4]+ 304.06379 167.1
[M+K]+ 324.99313 164.3
[M-H]- 285.02269 161.1
[M+Na-2H]- 307.00464 165.2
[M]+ 286.02942 161.8
[M]- 286.03052 161.8
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