CID 129532591

4-bromo-5-(difluoromethyl)thiazole

Structural Information

Molecular Formula

C₄H₂BrF₂NS

SMILES

C1=NC(=C(S1)C(F)F)Br

InChI

InChI=1S/C4H2BrF2NS/c5-3-2(4(6)7)9-1-8-3/h1,4H

InChIKey

ZTQYOMXYSAOAHR-UHFFFAOYSA-N

Compound name

4-bromo-5-(difluoromethyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.90594 Da
Monoisotopic Mass: 2.6
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]+	213.91322	125.6
[M+Na]+	235.89516	140.1
[M-H]-	211.89866	129.4
[M+NH4]+	230.93976	149.4
[M+K]+	251.86910	129.3
[M+H-H2O]+	195.90320	125.0
[M+HCOO]-	257.90414	141.2
[M+CH3COO]-	271.91979	181.1
[M+Na-2H]-	233.88061	129.5
[M]+	212.90539	143.6
[M]-	212.90649	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.