CID 40896

Mefluidide

Structural Information

Molecular Formula

C₁₁H₁₃F₃N₂O₃S

SMILES

CC1=CC(=C(C=C1NC(=O)C)NS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C11H13F3N2O3S/c1-6-4-7(2)10(5-9(6)15-8(3)17)16-20(18,19)11(12,13)14/h4-5,16H,1-3H3,(H,15,17)

InChIKey

OKIBNKKYNPBDRS-UHFFFAOYSA-N

Compound name

N-[2,4-dimethyl-5-(trifluoromethylsulfonylamino)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 7
References: 18190
Patents: 310.0599 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	311.06718	162.1
[M+Na]+	333.04912	170.4
[M-H]-	309.05262	162.3
[M+NH4]+	328.09372	176.9
[M+K]+	349.02306	166.7
[M+H-H2O]+	293.05716	153.4
[M+HCOO]-	355.05810	176.2
[M+CH3COO]-	369.07375	206.8
[M+Na-2H]-	331.03457	164.1
[M]+	310.05935	161.1
[M]-	310.06045	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe