CID 17244577

2-chloro-n-(6-chloro-4-fluoro-1,3-benzothiazol-2-yl)acetamide

Structural Information

Molecular Formula

C₉H₅Cl₂FN₂OS

SMILES

C1=C(C=C2C(=C1F)N=C(S2)NC(=O)CCl)Cl

InChI

InChI=1S/C9H5Cl2FN2OS/c10-3-7(15)13-9-14-8-5(12)1-4(11)2-6(8)16-9/h1-2H,3H2,(H,13,14,15)

InChIKey

ONDDNQUUOVDTKS-UHFFFAOYSA-N

Compound name

2-chloro-N-(6-chloro-4-fluoro-1,3-benzothiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.94836 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]+	278.955636	151.2
[M+Na]+	300.937578	164.1
[M-H]-	276.941084	154.0
[M+NH4]+	295.982183	171.1
[M+K]+	316.911518	157.6
[M+H-H2O]+	260.945620	146.2
[M+HCOO]-	322.946561	161.0
[M+CH3COO]-	336.962211	164.2
[M+Na-2H]-	298.923026	153.5
[M]+	277.94781142	157.4
[M]-	277.94890858	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.