CID 3009194

2,3,4,5,6-pentafluoro-n-phenoxathiin-2-yl-benzenesulfonamide

Structural Information

Molecular Formula
C18H8F5NO3S2
SMILES
C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F
InChI
InChI=1S/C18H8F5NO3S2/c19-13-14(20)16(22)18(17(23)15(13)21)29(25,26)24-8-5-6-10-12(7-8)28-11-4-2-1-3-9(11)27-10/h1-7,24H
InChIKey
VIEOUVFSAVYCQJ-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentafluoro-N-phenoxathiin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.98657 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.99385 190.1
[M+Na]+ 467.97579 202.3
[M-H]- 443.97929 192.7
[M+NH4]+ 463.02039 200.7
[M+K]+ 483.94973 194.9
[M+H-H2O]+ 427.98383 178.3
[M+HCOO]- 489.98477 195.1
[M+CH3COO]- 504.00042 198.8
[M+Na-2H]- 465.96124 193.1
[M]+ 444.98602 190.1
[M]- 444.98712 190.1
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.