CID 13924404

87254-66-8

Structural Information

Molecular Formula
C8H9NO2S
SMILES
C1CS(=O)(=O)C2=C1C=CC=C2N
InChI
InChI=1S/C8H9NO2S/c9-7-3-1-2-6-4-5-12(10,11)8(6)7/h1-3H,4-5,9H2
InChIKey
KIEQGEBGYOOELD-UHFFFAOYSA-N
Compound name
1,1-dioxo-2,3-dihydro-1-benzothiophen-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

183.0354 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.042676 133.1
[M+Na]+ 206.024618 144.0
[M-H]- 182.028124 138.1
[M+NH4]+ 201.069223 158.3
[M+K]+ 221.998558 140.6
[M+H-H2O]+ 166.032660 129.1
[M+HCOO]- 228.033601 153.1
[M+CH3COO]- 242.049251 178.3
[M+Na-2H]- 204.010066 138.1
[M]+ 183.03485142 134.2
[M]- 183.03594858 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

patents stripe