CID 2795493

181424-15-7

Structural Information

Molecular Formula

C₁₁H₁₀BrNS

SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)CBr

InChI

InChI=1S/C11H10BrNS/c1-8-10(7-12)14-11(13-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChIKey

JIYKQPNREFZLCN-UHFFFAOYSA-N

Compound name

5-(bromomethyl)-4-methyl-2-phenyl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 266.97174 Da
Monoisotopic Mass: 3.6
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]+	267.97902	142.8
[M+Na]+	289.96096	147.6
[M+NH4]+	285.00556	149.1
[M+K]+	305.93490	146.1
[M-H]-	265.96446	145.6
[M+Na-2H]-	287.94641	148.3
[M]+	266.97119	143.6
[M]-	266.97229	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe