CID 2741271

21243-22-1

Structural Information

Molecular Formula
C9H7FO3S
SMILES
C1CS(=O)(=O)C2=C(C1=O)C=C(C=C2)F
InChI
InChI=1S/C9H7FO3S/c10-6-1-2-9-7(5-6)8(11)3-4-14(9,12)13/h1-2,5H,3-4H2
InChIKey
YAULHFQMJFXBNM-UHFFFAOYSA-N
Compound name
6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.01 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01728 135.9
[M+Na]+ 236.99922 147.0
[M-H]- 213.00272 140.0
[M+NH4]+ 232.04382 158.5
[M+K]+ 252.97316 143.6
[M+H-H2O]+ 197.00726 130.4
[M+HCOO]- 259.00820 152.4
[M+CH3COO]- 273.02385 182.7
[M+Na-2H]- 234.98467 141.5
[M]+ 214.00945 136.9
[M]- 214.01055 136.9
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

No patent data available for this compound.