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]+ 216.04891 138.1
[M+Na]+ 238.03085 148.2
[M-H]- 214.03435 141.4
[M+NH4]+ 233.07545 160.2
[M+K]+ 254.00479 144.3
[M+H-H2O]+ 198.03889 132.4
[M+HCOO]- 260.03983 154.5
[M+CH3COO]- 274.05548 185.7
[M+Na-2H]- 236.01630 143.1
[M]+ 215.04108 136.6
[M]- 215.04218 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