CID 4962259

20751-75-1

Structural Information

Molecular Formula

C₁₀H₁₀ClNOS

SMILES

C1CSC2=CC=CC=C2N1C(=O)CCl

InChI

InChI=1S/C10H10ClNOS/c11-7-10(13)12-5-6-14-9-4-2-1-3-8(9)12/h1-4H,5-7H2

InChIKey

AYFZGNOUGDUMDS-UHFFFAOYSA-N

Compound name

2-chloro-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 227.01717 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]+	228.02445	144.7
[M+Na]+	250.00639	158.3
[M+NH4]+	245.05099	154.8
[M+K]+	265.98033	148.6
[M-H]-	226.00989	147.4
[M+Na-2H]-	247.99184	150.8
[M]+	227.01662	148.2
[M]-	227.01772	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe