CID 2717

Chlormezanone

Structural Information

Molecular Formula
C11H12ClNO3S
SMILES
CN1C(S(=O)(=O)CCC1=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3
InChIKey
WEQAYVWKMWHEJO-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

216
References

3343
Patents

273.02264 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.02992 152.2
[M+Na]+ 296.01186 162.8
[M-H]- 272.01536 158.3
[M+NH4]+ 291.05646 170.8
[M+K]+ 311.98580 158.0
[M+H-H2O]+ 256.01990 146.9
[M+HCOO]- 318.02084 163.5
[M+CH3COO]- 332.03649 192.2
[M+Na-2H]- 293.99731 154.5
[M]+ 273.02209 154.9
[M]- 273.02319 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.