CID 11054990

145099-40-7

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

3
Annotation Hits: 0
References: 21
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]+	257.02022	147.2
[M+Na]+	279.00216	156.6
[M-H]-	255.00566	145.6
[M+NH4]+	274.04676	162.7
[M+K]+	294.97610	153.3
[M+H-H2O]+	239.01020	138.4
[M+HCOO]-	301.01114	160.9
[M+CH3COO]-	315.02679	189.9
[M+Na-2H]-	276.98761	151.9
[M]+	256.01239	145.8
[M]-	256.01349	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe