CID 64950694

1357351-91-7

Structural Information

Molecular Formula

SMILES

C1=CN=CC(=C1CCl)F

InChI

InChI=1S/C6H5ClFN/c7-3-5-1-2-9-4-6(5)8/h1-2,4H,3H2

InChIKey

RMVYIGBZCTUZNB-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-3-fluoropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 145.00946 Da
Monoisotopic Mass: 1.3
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]+	146.01674	122.5
[M+Na]+	167.99868	137.0
[M+NH4]+	163.04328	131.8
[M+K]+	183.97262	129.4
[M-H]-	144.00218	123.7
[M+Na-2H]-	165.98413	130.9
[M]+	145.00891	125.2
[M]-	145.01001	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe