CID 39463

Fluoridamid

Structural Information

Molecular Formula

C₁₀H₁₁F₃N₂O₃S

SMILES

CC1=C(C=C(C=C1)NC(=O)C)NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C10H11F3N2O3S/c1-6-3-4-8(14-7(2)16)5-9(6)15-19(17,18)10(11,12)13/h3-5,15H,1-2H3,(H,14,16)

InChIKey

CUYDUAXYJJPSRK-UHFFFAOYSA-N

Compound name

N-[4-methyl-3-(trifluoromethylsulfonylamino)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2043
Patents: 296.04425 Da
Monoisotopic Mass: 1.6
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]+	297.05153	158.0
[M+Na]+	319.03347	165.9
[M-H]-	295.03697	158.0
[M+NH4]+	314.07807	173.1
[M+K]+	335.00741	162.3
[M+H-H2O]+	279.04151	149.2
[M+HCOO]-	341.04245	172.5
[M+CH3COO]-	355.05810	202.5
[M+Na-2H]-	317.01892	161.1
[M]+	296.04370	156.2
[M]-	296.04480	156.2

Literature stripe

literature stripe

Patent stripe

patents stripe