CID 4995911

8-fluoro-4h-thieno[3,2-c]thiochromene-2-carboxylic acid

Structural Information

Molecular Formula
C12H7FO2S2
SMILES
C1C2=C(C3=C(S1)C=CC(=C3)F)SC(=C2)C(=O)O
InChI
InChI=1S/C12H7FO2S2/c13-7-1-2-9-8(4-7)11-6(5-16-9)3-10(17-11)12(14)15/h1-4H,5H2,(H,14,15)
InChIKey
ABVWPIVEGZQKRM-UHFFFAOYSA-N
Compound name
8-fluoro-4H-thieno[3,2-c]thiochromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

265.98715 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.99443 150.9
[M+Na]+ 288.97637 162.1
[M+NH4]+ 284.02097 160.6
[M+K]+ 304.95031 153.8
[M-H]- 264.97987 152.3
[M+Na-2H]- 286.96182 154.4
[M]+ 265.98660 153.8
[M]- 265.98770 153.8
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

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