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 137.9
[M+Na]+ 237.04684 147.3
[M-H]- 213.05034 140.9
[M+NH4]+ 232.09144 159.6
[M+K]+ 253.02078 142.6
[M+H-H2O]+ 197.05488 132.0
[M+HCOO]- 259.05582 154.9
[M+CH3COO]- 273.07147 188.6
[M+Na-2H]- 235.03229 143.2
[M]+ 214.05707 134.2
[M]- 214.05817 134.2
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.