CID 43581676

1154382-72-5

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O₃S

SMILES

C1CS(=O)(=O)CCN1C(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C10H11ClN2O3S/c11-9-2-1-8(7-12-9)10(14)13-3-5-17(15,16)6-4-13/h1-2,7H,3-6H2

InChIKey

RYZWRHQMWPDZBT-UHFFFAOYSA-N

Compound name

(6-chloro-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 274.01788 Da
Monoisotopic Mass: 0.4
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]+	275.025156	152.9
[M+Na]+	297.007098	161.9
[M-H]-	273.010604	157.1
[M+NH4]+	292.051703	169.5
[M+K]+	312.981038	157.7
[M+H-H2O]+	257.015140	146.5
[M+HCOO]-	319.016081	162.2
[M+CH3COO]-	333.031731	189.8
[M+Na-2H]-	294.992546	155.8
[M]+	274.01733142	154.1
[M]-	274.01842858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.