CID 119022340

1361821-25-1

Structural Information

Molecular Formula

C₇H₅F₃N₂O₂

SMILES

C1=CN=C(C(=C1OC(F)(F)F)C=O)N

InChI

InChI=1S/C7H5F3N2O2/c8-7(9,10)14-5-1-2-12-6(11)4(5)3-13/h1-3H,(H2,11,12)

InChIKey

WKAYEOZSXKHTHI-UHFFFAOYSA-N

Compound name

2-amino-4-(trifluoromethoxy)pyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.03032 Da
Monoisotopic Mass: 1.7
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]+	207.037596	136.8
[M+Na]+	229.019538	146.9
[M-H]-	205.023044	135.4
[M+NH4]+	224.064143	154.2
[M+K]+	244.993478	144.4
[M+H-H2O]+	189.027580	128.0
[M+HCOO]-	251.028521	156.9
[M+CH3COO]-	265.044171	185.5
[M+Na-2H]-	227.004986	142.8
[M]+	206.02977142	133.5
[M]-	206.03086858	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.