CID 289660

8-chloro-phenothiazone

Structural Information

Molecular Formula

C₁₂H₆ClNOS

SMILES

C1=CC2=C(C=C1Cl)N=C3C=CC(=O)C=C3S2

InChI

InChI=1S/C12H6ClNOS/c13-7-1-4-11-10(5-7)14-9-3-2-8(15)6-12(9)16-11/h1-6H

InChIKey

IWZWKNFNNOKAIN-UHFFFAOYSA-N

Compound name

8-chlorophenothiazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.98586 Da
Monoisotopic Mass: 2.7
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]+	247.99314	145.1
[M+Na]+	269.97508	158.2
[M-H]-	245.97858	150.2
[M+NH4]+	265.01968	165.3
[M+K]+	285.94902	151.8
[M+H-H2O]+	229.98312	139.6
[M+HCOO]-	291.98406	158.0
[M+CH3COO]-	305.99971	159.0
[M+Na-2H]-	267.96053	153.0
[M]+	246.98531	150.6
[M]-	246.98641	150.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.