CID 9166003

878247-16-6

Structural Information

Molecular Formula
C14H11FN2O3S2
SMILES
CC1=CC=C(O1)C2=CSC(=N2)NS(=O)(=O)C3=CC=CC(=C3)F
InChI
InChI=1S/C14H11FN2O3S2/c1-9-5-6-13(20-9)12-8-21-14(16-12)17-22(18,19)11-4-2-3-10(15)7-11/h2-8H,1H3,(H,16,17)
InChIKey
MVHDMAJMMWODRJ-UHFFFAOYSA-N
Compound name
3-fluoro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

338.0195 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.02678 174.6
[M+Na]+ 361.00872 186.2
[M+NH4]+ 356.05332 181.5
[M+K]+ 376.98266 180.5
[M-H]- 337.01222 178.9
[M+Na-2H]- 358.99417 181.1
[M]+ 338.01895 178.4
[M]- 338.02005 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.