CID 43121173

1191908-73-2

Structural Information

Molecular Formula
C9H10FNO2S
SMILES
C1CS(=O)(=O)C2=C(C1N)C=C(C=C2)F
InChI
InChI=1S/C9H10FNO2S/c10-6-1-2-9-7(5-6)8(11)3-4-14(9,12)13/h1-2,5,8H,3-4,11H2
InChIKey
HYHVAEXXWQPWPF-UHFFFAOYSA-N
Compound name
6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

215.04163 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.048906 138.1
[M+Na]+ 238.030848 148.2
[M-H]- 214.034354 141.4
[M+NH4]+ 233.075453 160.2
[M+K]+ 254.004788 144.3
[M+H-H2O]+ 198.038890 132.4
[M+HCOO]- 260.039831 154.5
[M+CH3COO]- 274.055481 185.7
[M+Na-2H]- 236.016296 143.1
[M]+ 215.04108142 136.6
[M]- 215.04217858 136.6
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