CID 43581558

1154384-08-3

Structural Information

Molecular Formula
C7H12ClNO3S
SMILES
CC(C(=O)N1CCS(=O)(=O)CC1)Cl
InChI
InChI=1S/C7H12ClNO3S/c1-6(8)7(10)9-2-4-13(11,12)5-3-9/h6H,2-5H2,1H3
InChIKey
BRWFTWQLXXUNRW-UHFFFAOYSA-N
Compound name
2-chloro-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.02264 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02992 144.7
[M+Na]+ 248.01186 154.6
[M+NH4]+ 243.05646 153.4
[M+K]+ 263.98580 146.5
[M-H]- 224.01536 144.2
[M+Na-2H]- 245.99731 149.1
[M]+ 225.02209 146.5
[M]- 225.02319 146.5
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.