CID 44122260

51956-02-6

Structural Information

Molecular Formula
C8H9NO2S
SMILES
C1CS(=O)(=O)C2=C1C=C(C=C2)N
InChI
InChI=1S/C8H9NO2S/c9-7-1-2-8-6(5-7)3-4-12(8,10)11/h1-2,5H,3-4,9H2
InChIKey
MUJRANWRSSQSBC-UHFFFAOYSA-N
Compound name
1,1-dioxo-2,3-dihydro-1-benzothiophen-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

183.0354 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.04268 134.9
[M+Na]+ 206.02462 145.8
[M+NH4]+ 201.06922 145.5
[M+K]+ 221.99856 138.0
[M-H]- 182.02812 137.1
[M+Na-2H]- 204.01007 141.1
[M]+ 183.03485 137.5
[M]- 183.03595 137.5
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

patents stripe