CID 71024

10h-phenothiazine 5,5-dioxide

Structural Information

Molecular Formula

C₁₂H₉NO₂S

SMILES

C1=CC=C2C(=C1)NC3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C12H9NO2S/c14-16(15)11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)16/h1-8,13H

InChIKey

ZAYUOSICZWFJSW-UHFFFAOYSA-N

Compound name

10H-phenothiazine 5,5-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 581
Patents: 231.0354 Da
Monoisotopic Mass: 2.3
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]+	232.04268	145.7
[M+Na]+	254.02462	160.9
[M+NH4]+	249.06922	157.0
[M+K]+	269.99856	149.2
[M-H]-	230.02812	148.7
[M+Na-2H]-	252.01007	154.3
[M]+	231.03485	149.5
[M]-	231.03595	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe