CID 300195

Nsc174523

Structural Information

Molecular Formula
C15H11NO4S
SMILES
COC1=NS(=O)(=O)C2(O1)C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C15H11NO4S/c1-19-14-16-21(17,18)15(20-14)12-8-4-2-6-10(12)11-7-3-5-9-13(11)15/h2-9H,1H3
InChIKey
NERVWHYZMULKJQ-UHFFFAOYSA-N
Compound name
5-methoxyspiro[1,3,4-oxathiazole-2,9'-fluorene] 3,3-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0409 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.04818 163.1
[M+Na]+ 324.03012 177.5
[M-H]- 300.03362 172.2
[M+NH4]+ 319.07472 186.9
[M+K]+ 340.00406 174.4
[M+H-H2O]+ 284.03816 158.6
[M+HCOO]- 346.03910 181.4
[M+CH3COO]- 360.05475 177.7
[M+Na-2H]- 322.01557 169.6
[M]+ 301.04035 171.5
[M]- 301.04145 171.5
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.