CID 44754784

5-fluoro-6-methoxynicotinaldehyde

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=N1)C=O)F

InChI

InChI=1S/C7H6FNO2/c1-11-7-6(8)2-5(4-10)3-9-7/h2-4H,1H3

InChIKey

BKATVSAQJLGKJC-UHFFFAOYSA-N

Compound name

5-fluoro-6-methoxypyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 155.03825 Da
Monoisotopic Mass: 0.7
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]+	156.04553	129.0
[M+Na]+	178.02747	142.0
[M+NH4]+	173.07207	136.5
[M+K]+	194.00141	136.0
[M-H]-	154.03097	128.9
[M+Na-2H]-	176.01292	135.5
[M]+	155.03770	130.6
[M]-	155.03880	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe