CID 919418

3028-02-2

Structural Information

Molecular Formula

C₉H₇ClN₂OS

SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCl

InChI

InChI=1S/C9H7ClN2OS/c10-5-8(13)12-9-11-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,11,12,13)

InChIKey

CMUZFXFDVGLPGO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 50
Patents: 225.99677 Da
Monoisotopic Mass: 2.4
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]+	227.00405	144.1
[M+Na]+	248.98599	157.2
[M+NH4]+	244.03059	153.6
[M+K]+	264.95993	149.7
[M-H]-	224.98949	146.6
[M+Na-2H]-	246.97144	150.6
[M]+	225.99622	147.3
[M]-	225.99732	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe