CID 11600820

890302-67-7

Structural Information

Molecular Formula

C₇H₅F₃N₂O

SMILES

C1=CC(=NC(=C1C=O)N)C(F)(F)F

InChI

InChI=1S/C7H5F3N2O/c8-7(9,10)5-2-1-4(3-13)6(11)12-5/h1-3H,(H2,11,12)

InChIKey

IEZQJSIDCDNANW-UHFFFAOYSA-N

Compound name

2-amino-6-(trifluoromethyl)pyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 190.0354 Da
Monoisotopic Mass: 1.4
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]+	191.04268	133.8
[M+Na]+	213.02462	144.0
[M-H]-	189.02812	132.5
[M+NH4]+	208.06922	151.9
[M+K]+	228.99856	141.0
[M+H-H2O]+	173.03266	125.3
[M+HCOO]-	235.03360	153.7
[M+CH3COO]-	249.04925	183.4
[M+Na-2H]-	211.01007	139.8
[M]+	190.03485	129.1
[M]-	190.03595	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe