CID 71209

Dichlormezanone

Structural Information

Molecular Formula

C₁₁H₁₁Cl₂NO₃S

SMILES

CN1C(S(=O)(=O)CCC1=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C11H11Cl2NO3S/c1-14-10(15)4-5-18(16,17)11(14)7-2-3-8(12)9(13)6-7/h2-3,6,11H,4-5H2,1H3

InChIKey

FTBWWORDOHNJDB-UHFFFAOYSA-N

Compound name

2-(3,4-dichlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 35
Patents: 306.98367 Da
Monoisotopic Mass: 1.7
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]+	307.990946	156.1
[M+Na]+	329.972888	167.6
[M-H]-	305.976394	162.0
[M+NH4]+	325.017493	174.1
[M+K]+	345.946828	161.9
[M+H-H2O]+	289.980930	151.9
[M+HCOO]-	351.981871	162.4
[M+CH3COO]-	365.997521	197.9
[M+Na-2H]-	327.958336	157.2
[M]+	306.98312142	160.1
[M]-	306.98421858	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe