CID 11054990

Dtxsid801044083

Structural Information

Molecular Formula

C₇H₇F₃N₂O₃S

SMILES

C1=CC(=C(N=C1)S(=O)(=O)N)OCC(F)(F)F

InChI

InChI=1S/C7H7F3N2O3S/c8-7(9,10)4-15-5-2-1-3-12-6(5)16(11,13)14/h1-3H,4H2,(H2,11,13,14)

InChIKey

PEXWMSDUWGUEPX-UHFFFAOYSA-N

Compound name

3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 22
Patents: 256.01294 Da
Monoisotopic Mass: 0.8
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]+	257.020216	147.2
[M+Na]+	279.002158	156.6
[M-H]-	255.005664	145.6
[M+NH4]+	274.046763	162.7
[M+K]+	294.976098	153.3
[M+H-H2O]+	239.010200	138.4
[M+HCOO]-	301.011141	160.9
[M+CH3COO]-	315.026791	189.9
[M+Na-2H]-	276.987606	151.9
[M]+	256.01239142	145.8
[M]-	256.01348858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe