CID 45073391

608515-92-0

Structural Information

Molecular Formula

C₆H₆F₃N₃

SMILES

C1=C(C=NC(=N1)C(F)(F)F)CN

InChI

InChI=1S/C6H6F3N3/c7-6(8,9)5-11-2-4(1-10)3-12-5/h2-3H,1,10H2

InChIKey

SQBUZKFCCIEMGY-UHFFFAOYSA-N

Compound name

[2-(trifluoromethyl)pyrimidin-5-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 177.05138 Da
Monoisotopic Mass: 0.0
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]+	178.05866	134.5
[M+Na]+	200.04060	143.4
[M+NH4]+	195.08520	139.7
[M+K]+	216.01454	139.1
[M-H]-	176.04410	131.0
[M+Na-2H]-	198.02605	139.3
[M]+	177.05083	134.4
[M]-	177.05193	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe