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 140.6
[M+Na]+ 248.01186 148.2
[M-H]- 224.01536 142.8
[M+NH4]+ 243.05646 160.6
[M+K]+ 263.98580 145.8
[M+H-H2O]+ 208.01990 136.7
[M+HCOO]- 270.02084 149.6
[M+CH3COO]- 284.03649 182.1
[M+Na-2H]- 245.99731 142.1
[M]+ 225.02209 141.7
[M]- 225.02319 141.7
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.