CID 43121170

1039912-70-3

Structural Information

Molecular Formula
C9H10ClNO2S
SMILES
C1CS(=O)(=O)C2=C(C1N)C=C(C=C2)Cl
InChI
InChI=1S/C9H10ClNO2S/c10-6-1-2-9-7(5-6)8(11)3-4-14(9,12)13/h1-2,5,8H,3-4,11H2
InChIKey
RCXZIISFWJVMFA-UHFFFAOYSA-N
Compound name
6-chloro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.01208 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.01936 142.9
[M+Na]+ 254.00130 155.9
[M+NH4]+ 249.04590 153.9
[M+K]+ 269.97524 145.3
[M-H]- 230.00480 145.9
[M+Na-2H]- 251.98675 150.0
[M]+ 231.01153 146.5
[M]- 231.01263 146.5
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.