CID 16073426

Schembl2845769

Structural Information

Molecular Formula
C17H14F2N2O4S
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)F)NS(=O)(=O)C)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H14F2N2O4S/c1-20-17(22)15-11-7-12(19)13(21-26(2,23)24)8-14(11)25-16(15)9-3-5-10(18)6-4-9/h3-8,21H,1-2H3,(H,20,22)
InChIKey
QBJUAHVNQBQSJD-UHFFFAOYSA-N
Compound name
5-fluoro-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

380.06424 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.07152 183.7
[M+Na]+ 403.05346 194.6
[M-H]- 379.05696 191.0
[M+NH4]+ 398.09806 197.5
[M+K]+ 419.02740 190.5
[M+H-H2O]+ 363.06150 175.3
[M+HCOO]- 425.06244 201.6
[M+CH3COO]- 439.07809 220.3
[M+Na-2H]- 401.03891 186.7
[M]+ 380.06369 188.7
[M]- 380.06479 188.7
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

patents stripe