CID 66521190

1209458-88-7

Structural Information

Molecular Formula

SMILES

C1=C(SC(=N1)C(F)(F)F)Br

InChI

InChI=1S/C4HBrF3NS/c5-2-1-9-3(10-2)4(6,7)8/h1H

InChIKey

BEFIZUOVAXMSPV-UHFFFAOYSA-N

Compound name

5-bromo-2-(trifluoromethyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 230.89651 Da
Monoisotopic Mass: 2.9
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]+	231.90379	130.3
[M+Na]+	253.88573	145.5
[M-H]-	229.88923	133.0
[M+NH4]+	248.93033	153.6
[M+K]+	269.85967	134.2
[M+H-H2O]+	213.89377	129.2
[M+HCOO]-	275.89471	144.5
[M+CH3COO]-	289.91036	182.6
[M+Na-2H]-	251.87118	135.1
[M]+	230.89596	147.1
[M]-	230.89706	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe