CID 130063869

2-(chloromethyl)-3-fluoro-4-methylpyridine hydrochloride

Structural Information

Molecular Formula

SMILES

CC1=C(C(=NC=C1)CCl)F

InChI

InChI=1S/C7H7ClFN/c1-5-2-3-10-6(4-8)7(5)9/h2-3H,4H2,1H3

InChIKey

UJJCRCKDBCUNJR-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-3-fluoro-4-methylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 159.0251 Da
Monoisotopic Mass: 1.7
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]+	160.032376	125.8
[M+Na]+	182.014318	136.8
[M-H]-	158.017824	127.2
[M+NH4]+	177.058923	146.8
[M+K]+	197.988258	133.0
[M+H-H2O]+	142.022360	119.9
[M+HCOO]-	204.023301	144.1
[M+CH3COO]-	218.038951	176.8
[M+Na-2H]-	179.999766	132.9
[M]+	159.02455142	127.0
[M]-	159.02564858	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.