CID 72214383

(2-chloro-3-fluoropyridin-4-yl)methanamine hydrochloride

Structural Information

Molecular Formula

C₆H₆ClFN₂

SMILES

C1=CN=C(C(=C1CN)F)Cl

InChI

InChI=1S/C6H6ClFN2/c7-6-5(8)4(3-9)1-2-10-6/h1-2H,3,9H2

InChIKey

YOIOTDMJOCUDBE-UHFFFAOYSA-N

Compound name

(2-chloro-3-fluoro-4-pyridinyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 160.02036 Da
Monoisotopic Mass: 0.8
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]+	161.027636	127.0
[M+Na]+	183.009578	137.5
[M-H]-	159.013084	128.0
[M+NH4]+	178.054183	147.3
[M+K]+	198.983518	133.4
[M+H-H2O]+	143.017620	120.9
[M+HCOO]-	205.018561	146.0
[M+CH3COO]-	219.034211	177.8
[M+Na-2H]-	180.995026	133.7
[M]+	160.01981142	126.1
[M]-	160.02090858	126.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe