CID 14623602

2-fluoropyridine-5-carbonyl chloride

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H3ClFNO/c7-6(10)4-1-2-5(8)9-3-4/h1-3H

InChIKey

IPOCOANFUVSCLZ-UHFFFAOYSA-N

Compound name

6-fluoropyridine-3-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 315
Patents: 158.98872 Da
Monoisotopic Mass: 3.1
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]+	159.99600	123.3
[M+Na]+	181.97794	133.8
[M-H]-	157.98144	124.7
[M+NH4]+	177.02254	143.8
[M+K]+	197.95188	130.5
[M+H-H2O]+	141.98598	117.3
[M+HCOO]-	203.98692	141.4
[M+CH3COO]-	218.00257	174.6
[M+Na-2H]-	179.96339	130.4
[M]+	158.98817	124.0
[M]-	158.98927	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe