CID 13985218

2-(bromomethyl)-6-fluoropyridine

Structural Information

Molecular Formula

SMILES

C1=CC(=NC(=C1)F)CBr

InChI

InChI=1S/C6H5BrFN/c7-4-5-2-1-3-6(8)9-5/h1-3H,4H2

InChIKey

ADYKBYXVMBDQQX-UHFFFAOYSA-N

Compound name

2-(bromomethyl)-6-fluoropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 97
Patents: 188.95894 Da
Monoisotopic Mass: 1.9
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]+	189.966216	127.4
[M+Na]+	211.948158	140.3
[M-H]-	187.951664	131.6
[M+NH4]+	206.992763	149.7
[M+K]+	227.922098	129.7
[M+H-H2O]+	171.956200	127.0
[M+HCOO]-	233.957141	148.3
[M+CH3COO]-	247.972791	179.6
[M+Na-2H]-	209.933606	137.1
[M]+	188.95839142	144.8
[M]-	188.95948858	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe