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

8
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 133.1
[M+Na]+ 206.02462 144.0
[M-H]- 182.02812 138.1
[M+NH4]+ 201.06922 158.3
[M+K]+ 221.99856 140.6
[M+H-H2O]+ 166.03266 129.1
[M+HCOO]- 228.03360 153.1
[M+CH3COO]- 242.04925 178.3
[M+Na-2H]- 204.01007 138.1
[M]+ 183.03485 134.2
[M]- 183.03595 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