CID 504554

P-toluenesulfonamide, n-9-oxo-2-fluorenyl-

Structural Information

Molecular Formula
C20H15NO3S
SMILES
CC1=CC2=C(C=C1)S(=O)(=O)NOC23C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C20H15NO3S/c1-13-10-11-19-18(12-13)20(24-21-25(19,22)23)16-8-4-2-6-14(16)15-7-3-5-9-17(15)20/h2-12,21H,1H3
InChIKey
QXUFZYCQTQFWJO-UHFFFAOYSA-N
Compound name
6-methylspiro[3,1lambda6,2-benzoxathiazine-4,9'-fluorene] 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.07727 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.08455 176.9
[M+Na]+ 372.06649 189.8
[M-H]- 348.06999 184.2
[M+NH4]+ 367.11109 196.7
[M+K]+ 388.04043 183.8
[M+H-H2O]+ 332.07453 169.4
[M+HCOO]- 394.07547 188.9
[M+CH3COO]- 408.09112 188.6
[M+Na-2H]- 370.05194 184.1
[M]+ 349.07672 180.4
[M]- 349.07782 180.4
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.