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 173.5
[M+Na]+ 361.00872 186.2
[M-H]- 337.01222 183.6
[M+NH4]+ 356.05332 189.3
[M+K]+ 376.98266 181.5
[M+H-H2O]+ 321.01676 167.2
[M+HCOO]- 383.01770 189.8
[M+CH3COO]- 397.03335 186.5
[M+Na-2H]- 358.99417 174.6
[M]+ 338.01895 179.7
[M]- 338.02005 179.7
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.