CID 139597290

Ns00067717

Structural Information

Molecular Formula

C₈H₆F₃N₃O₃S

SMILES

COC1=NC=CC(=C1S(=O)(=O)NC#N)C(F)(F)F

InChI

InChI=1S/C8H6F3N3O3S/c1-17-7-6(18(15,16)14-4-12)5(2-3-13-7)8(9,10)11/h2-3,14H,1H3

InChIKey

UHQMUHGVGXBPEM-UHFFFAOYSA-N

Compound name

N-cyano-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 281.0082 Da
Monoisotopic Mass: 1.1
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]+	282.01548	157.4
[M+Na]+	303.99742	167.8
[M-H]-	280.00092	156.4
[M+NH4]+	299.04202	170.4
[M+K]+	319.97136	165.8
[M+H-H2O]+	264.00546	142.0
[M+HCOO]-	326.00640	168.2
[M+CH3COO]-	340.02205	206.7
[M+Na-2H]-	301.98287	161.1
[M]+	281.00765	152.1
[M]-	281.00875	152.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.