CID 82646895

1539975-87-5

Structural Information

Molecular Formula
C9H11NO2S
SMILES
C1CC2=C(C=CC(=C2)N)S(=O)(=O)C1
InChI
InChI=1S/C9H11NO2S/c10-8-3-4-9-7(6-8)2-1-5-13(9,11)12/h3-4,6H,1-2,5,10H2
InChIKey
BYDYSIPKMMIJED-UHFFFAOYSA-N
Compound name
1,1-dioxo-3,4-dihydro-2H-thiochromen-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.05106 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05834 137.6
[M+Na]+ 220.04028 149.5
[M+NH4]+ 215.08488 148.4
[M+K]+ 236.01422 139.5
[M-H]- 196.04378 140.5
[M+Na-2H]- 218.02573 144.8
[M]+ 197.05051 140.7
[M]- 197.05161 140.7
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.