CID 2856901

N-(1,1-dioxido-2,3-dihydro-3-thienyl)-2-fluoro-n-(3-methylphenyl)benzamide

Structural Information

Molecular Formula
C18H16FNO3S
SMILES
CC1=CC(=CC=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC=CC=C3F
InChI
InChI=1S/C18H16FNO3S/c1-13-5-4-6-14(11-13)20(15-9-10-24(22,23)12-15)18(21)16-7-2-3-8-17(16)19/h2-11,15H,12H2,1H3
InChIKey
PIKRQQGITFNPKO-UHFFFAOYSA-N
Compound name
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-N-(3-methylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

345.0835 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.09078 177.6
[M+Na]+ 368.07272 189.3
[M+NH4]+ 363.11732 186.2
[M+K]+ 384.04666 180.7
[M-H]- 344.07622 181.9
[M+Na-2H]- 366.05817 187.0
[M]+ 345.08295 180.9
[M]- 345.08405 180.9
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.