CID 3009165

N-[4-(2,5-dihydroxy-phenyl)-thiazol-2-yl]-4-fluoro-benzenesulfonamide

Structural Information

Molecular Formula
C15H11FN2O4S2
SMILES
C1=CC(=CC=C1F)S(=O)(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)O)O
InChI
InChI=1S/C15H11FN2O4S2/c16-9-1-4-11(5-2-9)24(21,22)18-15-17-13(8-23-15)12-7-10(19)3-6-14(12)20/h1-8,19-20H,(H,17,18)
InChIKey
FJEXATNMLCEWIV-UHFFFAOYSA-N
Compound name
N-[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.01443 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.02171 177.8
[M+Na]+ 389.00365 187.7
[M-H]- 365.00715 183.3
[M+NH4]+ 384.04825 189.8
[M+K]+ 404.97759 180.2
[M+H-H2O]+ 349.01169 170.3
[M+HCOO]- 411.01263 189.0
[M+CH3COO]- 425.02828 206.5
[M+Na-2H]- 386.98910 179.1
[M]+ 366.01388 179.4
[M]- 366.01498 179.4
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.