CID 11608559

3-benzylthiazolium bromide

Structural Information

Molecular Formula

C₁₀H₁₀NS

SMILES

C1=CC=C(C=C1)C[N+]2=CSC=C2

InChI

InChI=1S/C10H10NS/c1-2-4-10(5-3-1)8-11-6-7-12-9-11/h1-7,9H,8H2/q+1

InChIKey

VRBQHWBVNLNLOZ-UHFFFAOYSA-N

Compound name

3-benzyl-1,3-thiazol-3-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 34
Patents: 176.05339 Da
Monoisotopic Mass: 2.7
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]+	177.06067	131.6
[M+Na]+	199.04261	147.8
[M+NH4]+	194.08721	143.4
[M+K]+	215.01655	140.1
[M-H]-	175.04611	138.1
[M+Na-2H]-	197.02806	142.3
[M]+	176.05284	136.7
[M]-	176.05394	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe