CID 137944414

2287318-28-7

Structural Information

Molecular Formula
C9H11FN2OS
SMILES
C1CS(=N)(=O)C2=C(C1N)C=C(C=C2)F
InChI
InChI=1S/C9H11FN2OS/c10-6-1-2-9-7(5-6)8(11)3-4-14(9,12)13/h1-2,5,8,12H,3-4,11H2
InChIKey
JRSZXAJXVKYTDS-UHFFFAOYSA-N
Compound name
6-fluoro-1-imino-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.05762 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.06490 139.4
[M+Na]+ 237.04684 149.8
[M+NH4]+ 232.09144 149.4
[M+K]+ 253.02078 140.1
[M-H]- 213.05034 141.5
[M+Na-2H]- 235.03229 145.9
[M]+ 214.05707 141.8
[M]- 214.05817 141.8
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

No patent data available for this compound.