CID 3009205

4-bromo-n-phenoxathiin-2-yl-benzenesulfonamide

Structural Information

Molecular Formula
C18H12BrNO3S2
SMILES
C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Br
InChI
InChI=1S/C18H12BrNO3S2/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
KZQPIGNQVGKMSB-UHFFFAOYSA-N
Compound name
4-bromo-N-phenoxathiin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.9442 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.95148 171.4
[M+Na]+ 455.93342 183.4
[M-H]- 431.93692 182.0
[M+NH4]+ 450.97802 186.2
[M+K]+ 471.90736 171.2
[M+H-H2O]+ 415.94146 171.3
[M+HCOO]- 477.94240 180.7
[M+CH3COO]- 491.95805 184.0
[M+Na-2H]- 453.91887 181.9
[M]+ 432.94365 192.9
[M]- 432.94475 192.9
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.