CID 3107996

2-chloro-n-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Structural Information

Molecular Formula

C₉H₁₁ClN₂OS

SMILES

C1CCC2=C(C1)N=C(S2)NC(=O)CCl

InChI

InChI=1S/C9H11ClN2OS/c10-5-8(13)12-9-11-6-3-1-2-4-7(6)14-9/h1-5H2,(H,11,12,13)

InChIKey

YTIVGTKPWXNVDJ-UHFFFAOYSA-N

Compound name

2-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.02806 Da
Monoisotopic Mass: 2.2
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]+	231.035336	147.6
[M+Na]+	253.017278	155.5
[M-H]-	229.020784	150.5
[M+NH4]+	248.061883	168.3
[M+K]+	268.991218	151.3
[M+H-H2O]+	213.025320	142.3
[M+HCOO]-	275.026261	159.3
[M+CH3COO]-	289.041911	186.9
[M+Na-2H]-	251.002726	149.6
[M]+	230.02751142	148.7
[M]-	230.02860858	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.