CID 3009204

4-fluoro-n-phenoxathiin-2-yl-benzenesulfonamide

Structural Information

Molecular Formula
C18H12FNO3S2
SMILES
C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C18H12FNO3S2/c19-12-5-8-14(9-6-12)25(21,22)20-13-7-10-16-18(11-13)24-17-4-2-1-3-15(17)23-16/h1-11,20H
InChIKey
QOZRAQYXNCPMHF-UHFFFAOYSA-N
Compound name
4-fluoro-N-phenoxathiin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.02426 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.03154 176.9
[M+Na]+ 396.01348 186.4
[M-H]- 372.01698 184.0
[M+NH4]+ 391.05808 190.0
[M+K]+ 411.98742 180.6
[M+H-H2O]+ 356.02152 168.9
[M+HCOO]- 418.02246 186.7
[M+CH3COO]- 432.03811 187.2
[M+Na-2H]- 393.99893 184.9
[M]+ 373.02371 179.3
[M]- 373.02481 179.3
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.