CID 49651940

2-bromo-5-methyl-4-phenylthiazole

Structural Information

Molecular Formula

C₁₀H₈BrNS

SMILES

CC1=C(N=C(S1)Br)C2=CC=CC=C2

InChI

InChI=1S/C10H8BrNS/c1-7-9(12-10(11)13-7)8-5-3-2-4-6-8/h2-6H,1H3

InChIKey

RNOQQISGUQUJMQ-UHFFFAOYSA-N

Compound name

2-bromo-5-methyl-4-phenyl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 252.95609 Da
Monoisotopic Mass: 4.0
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]+	253.96337	138.3
[M+Na]+	275.94531	143.3
[M+NH4]+	270.98991	144.8
[M+K]+	291.91925	142.0
[M-H]-	251.94881	141.1
[M+Na-2H]-	273.93076	144.1
[M]+	252.95554	139.2
[M]-	252.95664	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe