CID 11195853

30897-26-8

Structural Information

Molecular Formula

C₁₁H₁₂ClNOS

SMILES

CN1C(SCCC1=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H12ClNOS/c1-13-10(14)6-7-15-11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3

InChIKey

AMIDZXQBSZMUEL-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)-3-methyl-1,3-thiazinan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.0328 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]+	242.04008	148.9
[M+Na]+	264.02202	157.7
[M-H]-	240.02552	154.4
[M+NH4]+	259.06662	166.8
[M+K]+	279.99596	152.5
[M+H-H2O]+	224.03006	142.7
[M+HCOO]-	286.03100	159.4
[M+CH3COO]-	300.04665	161.1
[M+Na-2H]-	262.00747	150.0
[M]+	241.03225	149.3
[M]-	241.03335	149.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.