CID 21698508

6-(difluoromethoxy)nicotinaldehyde

Structural Information

Molecular Formula

C₇H₅F₂NO₂

SMILES

C1=CC(=NC=C1C=O)OC(F)F

InChI

InChI=1S/C7H5F2NO2/c8-7(9)12-6-2-1-5(4-11)3-10-6/h1-4,7H

InChIKey

NRGBKYVUEUMGTE-UHFFFAOYSA-N

Compound name

6-(difluoromethoxy)pyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 123
Patents: 173.02884 Da
Monoisotopic Mass: 1.6
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]+	174.03612	128.9
[M+Na]+	196.01806	138.2
[M-H]-	172.02156	128.9
[M+NH4]+	191.06266	147.8
[M+K]+	211.99200	136.7
[M+H-H2O]+	156.02610	120.8
[M+HCOO]-	218.02704	150.4
[M+CH3COO]-	232.04269	178.5
[M+Na-2H]-	194.00351	135.2
[M]+	173.02829	128.2
[M]-	173.02939	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe