CID 2779853

Stattic

Structural Information

Molecular Formula
C8H5NO4S
SMILES
C1=CC(=CC2=C1C=CS2(=O)=O)[N+](=O)[O-]
InChI
InChI=1S/C8H5NO4S/c10-9(11)7-2-1-6-3-4-14(12,13)8(6)5-7/h1-5H
InChIKey
ZRRGOUHITGRLBA-UHFFFAOYSA-N
Compound name
6-nitro-1-benzothiophene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

180
References

1241
Patents

210.99393 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00121 138.2
[M+Na]+ 233.98315 150.9
[M+NH4]+ 229.02775 148.2
[M+K]+ 249.95709 145.9
[M-H]- 209.98665 140.8
[M+Na-2H]- 231.96860 144.9
[M]+ 210.99338 141.1
[M]- 210.99448 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe