CID 3009206

4-iodo-n-phenoxathiin-2-yl-benzenesulfonamide

Structural Information

Molecular Formula
C18H12INO3S2
SMILES
C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)I
InChI
InChI=1S/C18H12INO3S2/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
FMYKJRAYSGMWBS-UHFFFAOYSA-N
Compound name
4-iodo-N-phenoxathiin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.93033 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.93761 187.9
[M+Na]+ 503.91955 189.7
[M-H]- 479.92305 188.4
[M+NH4]+ 498.96415 196.2
[M+K]+ 519.89349 190.1
[M+H-H2O]+ 463.92759 176.9
[M+HCOO]- 525.92853 193.8
[M+CH3COO]- 539.94418 193.6
[M+Na-2H]- 501.90500 184.6
[M]+ 480.92978 188.0
[M]- 480.93088 188.0
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.