CID 57748126

1378865-93-0

Structural Information

Molecular Formula

C₁₀H₁₂F₃N

SMILES

CC1=CC(=NC=C1)C(C)(C)C(F)(F)F

InChI

InChI=1S/C10H12F3N/c1-7-4-5-14-8(6-7)9(2,3)10(11,12)13/h4-6H,1-3H3

InChIKey

YDCXKPKYKHZBLU-UHFFFAOYSA-N

Compound name

4-methyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 25
Patents: 203.09218 Da
Monoisotopic Mass: 3.5
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]+	204.09946	141.0
[M+Na]+	226.08140	150.1
[M-H]-	202.08490	139.8
[M+NH4]+	221.12600	159.3
[M+K]+	242.05534	147.5
[M+H-H2O]+	186.08944	132.9
[M+HCOO]-	248.09038	157.6
[M+CH3COO]-	262.10603	186.7
[M+Na-2H]-	224.06685	147.6
[M]+	203.09163	137.5
[M]-	203.09273	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe