CID 5070563

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

Structural Information

Molecular Formula

C₉H₇IN₂OS

SMILES

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

InChI

InChI=1S/C9H7IN2OS/c10-5-8(13)12-9-11-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,11,12,13)

InChIKey

TZPWZPRCLDDGGP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 317.93237 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]+	318.93965	153.5
[M+Na]+	340.92159	157.8
[M+NH4]+	335.96619	158.0
[M+K]+	356.89553	154.4
[M-H]-	316.92509	149.6
[M+Na-2H]-	338.90704	146.8
[M]+	317.93182	152.3
[M]-	317.93292	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe