CID 58259412

1227597-35-4

Structural Information

Molecular Formula

SMILES

COC1=CC(=C(N=C1)F)C=O

InChI

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

InChIKey

BGSMTHVPPMDACW-UHFFFAOYSA-N

Compound name

2-fluoro-5-methoxypyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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	125.5
[M+Na]+	178.02747	136.0
[M-H]-	154.03097	127.3
[M+NH4]+	173.07207	145.7
[M+K]+	194.00141	134.5
[M+H-H2O]+	138.03551	118.6
[M+HCOO]-	200.03645	149.1
[M+CH3COO]-	214.05210	176.0
[M+Na-2H]-	176.01292	133.0
[M]+	155.03770	127.1
[M]-	155.03880	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe