CID 3009173

4-fluoro-n-[4-(3,4,5-trihydroxy-phenyl)-thiazol-2-yl]-benzenesulfonamide

Structural Information

Molecular Formula
C15H11FN2O5S2
SMILES
C1=CC(=CC=C1F)S(=O)(=O)NC2=NC(=CS2)C3=CC(=C(C(=C3)O)O)O
InChI
InChI=1S/C15H11FN2O5S2/c16-9-1-3-10(4-2-9)25(22,23)18-15-17-11(7-24-15)8-5-12(19)14(21)13(20)6-8/h1-7,19-21H,(H,17,18)
InChIKey
HKAQFWLCVSDJQI-UHFFFAOYSA-N
Compound name
4-fluoro-N-[4-(3,4,5-trihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.00934 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.01662 180.3
[M+Na]+ 404.99856 189.8
[M-H]- 381.00206 184.6
[M+NH4]+ 400.04316 191.0
[M+K]+ 420.97250 182.3
[M+H-H2O]+ 365.00660 173.1
[M+HCOO]- 427.00754 190.1
[M+CH3COO]- 441.02319 208.0
[M+Na-2H]- 402.98401 181.2
[M]+ 382.00879 181.9
[M]- 382.00989 181.9
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.