CID 45787741

4-bromo-2-(tert-butyl)thiazole

Structural Information

Molecular Formula

C₇H₁₀BrNS

SMILES

CC(C)(C)C1=NC(=CS1)Br

InChI

InChI=1S/C7H10BrNS/c1-7(2,3)6-9-5(8)4-10-6/h4H,1-3H3

InChIKey

MBCNEXNLPXCWIP-UHFFFAOYSA-N

Compound name

4-bromo-2-tert-butyl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 218.97173 Da
Monoisotopic Mass: 3.7
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]+	219.97901	134.8
[M+Na]+	241.96095	137.2
[M+NH4]+	237.00555	140.4
[M+K]+	257.93489	137.6
[M-H]-	217.96445	134.7
[M+Na-2H]-	239.94640	137.5
[M]+	218.97118	134.4
[M]-	218.97228	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe