CID 129915487

4-(chloromethyl)-2,3-difluoropyridine

Structural Information

Molecular Formula

C₆H₄ClF₂N

SMILES

C1=CN=C(C(=C1CCl)F)F

InChI

InChI=1S/C6H4ClF2N/c7-3-4-1-2-10-6(9)5(4)8/h1-2H,3H2

InChIKey

WPWPOWFLUPXKAN-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-2,3-difluoropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 163.00003 Da
Monoisotopic Mass: 1.8
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]+	164.00731	123.3
[M+Na]+	185.98925	134.8
[M-H]-	161.99275	123.5
[M+NH4]+	181.03385	144.1
[M+K]+	201.96319	130.8
[M+H-H2O]+	145.99729	116.6
[M+HCOO]-	207.99823	140.9
[M+CH3COO]-	222.01388	176.6
[M+Na-2H]-	183.97470	130.4
[M]+	162.99948	123.1
[M]-	163.00058	123.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.