CID 58416034

3-(5-bromo-4-methyl-1,3-thiazol-2-yl)pyridine

Structural Information

Molecular Formula

C₉H₇BrN₂S

SMILES

CC1=C(SC(=N1)C2=CN=CC=C2)Br

InChI

InChI=1S/C9H7BrN2S/c1-6-8(10)13-9(12-6)7-3-2-4-11-5-7/h2-5H,1H3

InChIKey

OVXXBKHKCMYBTB-UHFFFAOYSA-N

Compound name

5-bromo-4-methyl-2-pyridin-3-yl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 253.95132 Da
Monoisotopic Mass: 3.0
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]+	254.95860	138.6
[M+Na]+	276.94054	143.6
[M+NH4]+	271.98514	144.5
[M+K]+	292.91448	142.7
[M-H]-	252.94404	140.7
[M+Na-2H]-	274.92599	144.1
[M]+	253.95077	139.3
[M]-	253.95187	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe