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: 11
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]+	253.963366	138.7
[M+Na]+	275.945308	153.3
[M-H]-	251.948814	148.1
[M+NH4]+	270.989913	161.5
[M+K]+	291.919248	141.5
[M+H-H2O]+	235.953350	139.4
[M+HCOO]-	297.954291	157.2
[M+CH3COO]-	311.969941	155.3
[M+Na-2H]-	273.930756	143.7
[M]+	252.95554142	159.8
[M]-	252.95663858	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe