CID 4159002

401575-24-4

Structural Information

Molecular Formula

C₈H₇F₃N₂O

SMILES

C1=CC=NC(=C1)CNC(=O)C(F)(F)F

InChI

InChI=1S/C8H7F3N2O/c9-8(10,11)7(14)13-5-6-3-1-2-4-12-6/h1-4H,5H2,(H,13,14)

InChIKey

SCEMKHWGDPXKIJ-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 204.05104 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]+	205.05832	142.4
[M+Na]+	227.04026	150.5
[M+NH4]+	222.08486	147.3
[M+K]+	243.01420	146.1
[M-H]-	203.04376	138.9
[M+Na-2H]-	225.02571	146.8
[M]+	204.05049	142.1
[M]-	204.05159	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe