CID 21694907

39093-77-1

Structural Information

Molecular Formula

C₅H₈ClNO₃S

SMILES

C1CS(=O)(=O)CCN1C(=O)Cl

InChI

InChI=1S/C5H8ClNO3S/c6-5(8)7-1-3-11(9,10)4-2-7/h1-4H2

InChIKey

IGTZDYSBSFTPPP-UHFFFAOYSA-N

Compound name

1,1-dioxo-1,4-thiazinane-4-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 196.99135 Da
Monoisotopic Mass: -0.1
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]+	197.99863	132.4
[M+Na]+	219.98057	141.2
[M-H]-	195.98407	134.9
[M+NH4]+	215.02517	153.6
[M+K]+	235.95451	138.7
[M+H-H2O]+	179.98861	128.7
[M+HCOO]-	241.98955	143.1
[M+CH3COO]-	256.00520	175.2
[M+Na-2H]-	217.96602	135.9
[M]+	196.99080	133.4
[M]-	196.99190	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe