CID 2384252

3427-31-4

Structural Information

Molecular Formula

C₉H₆BrClN₂OS

SMILES

C1=CC2=C(C=C1Br)SC(=N2)NC(=O)CCl

InChI

InChI=1S/C9H6BrClN2OS/c10-5-1-2-6-7(3-5)15-9(12-6)13-8(14)4-11/h1-3H,4H2,(H,12,13,14)

InChIKey

KXPBQZGBHBXROK-UHFFFAOYSA-N

Compound name

N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 303.90726 Da
Monoisotopic Mass: 3.2
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]+	304.91454	146.7
[M+Na]+	326.89648	162.2
[M-H]-	302.89998	154.0
[M+NH4]+	321.94108	168.9
[M+K]+	342.87042	148.5
[M+H-H2O]+	286.90452	147.8
[M+HCOO]-	348.90546	160.9
[M+CH3COO]-	362.92111	162.5
[M+Na-2H]-	324.88193	152.9
[M]+	303.90671	170.9
[M]-	303.90781	170.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe