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 177.5
[M+Na]+ 368.07272 186.2
[M-H]- 344.07622 188.1
[M+NH4]+ 363.11732 195.1
[M+K]+ 384.04666 182.0
[M+H-H2O]+ 328.08076 169.2
[M+HCOO]- 390.08170 196.8
[M+CH3COO]- 404.09735 211.7
[M+Na-2H]- 366.05817 177.2
[M]+ 345.08295 179.8
[M]- 345.08405 179.8
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.