CID 10584306

214692-07-6

Structural Information

Molecular Formula

C₆H₅NO₃S₂

SMILES

C1C(=O)NC2=C(S1(=O)=O)C=CS2

InChI

InChI=1S/C6H5NO3S2/c8-5-3-12(9,10)4-1-2-11-6(4)7-5/h1-2H,3H2,(H,7,8)

InChIKey

ISVLQJUKYOVFKD-UHFFFAOYSA-N

Compound name

1,1-dioxo-4H-thieno[3,2-b][1,4]thiazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 202.97108 Da
Monoisotopic Mass: 0.2
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]+	203.978356	135.7
[M+Na]+	225.960298	146.9
[M-H]-	201.963804	137.9
[M+NH4]+	221.004903	158.4
[M+K]+	241.934238	142.6
[M+H-H2O]+	185.968340	132.3
[M+HCOO]-	247.969281	146.7
[M+CH3COO]-	261.984931	148.9
[M+Na-2H]-	223.945746	139.2
[M]+	202.97053142	137.1
[M]-	202.97162858	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe