CID 2497583

263239-23-2

Structural Information

Molecular Formula

C₉H₆ClFN₂OS

SMILES

C1=CC2=C(C=C1F)SC(=N2)NC(=O)CCl

InChI

InChI=1S/C9H6ClFN2OS/c10-4-8(14)13-9-12-6-2-1-5(11)3-7(6)15-9/h1-3H,4H2,(H,12,13,14)

InChIKey

UTPHNOJSADNBNJ-UHFFFAOYSA-N

Compound name

2-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 243.98734 Da
Monoisotopic Mass: 2.6
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]+	244.994616	145.2
[M+Na]+	266.976558	157.2
[M-H]-	242.980064	148.4
[M+NH4]+	262.021163	165.9
[M+K]+	282.950498	151.8
[M+H-H2O]+	226.984600	139.3
[M+HCOO]-	288.985541	160.2
[M+CH3COO]-	303.001191	158.8
[M+Na-2H]-	264.962006	148.9
[M]+	243.98679142	150.1
[M]-	243.98788858	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe