CID 18948789

55160-66-2

Structural Information

Molecular Formula
C6H12ClNO2S
SMILES
C1CS(=O)(=O)CCN1CCCl
InChI
InChI=1S/C6H12ClNO2S/c7-1-2-8-3-5-11(9,10)6-4-8/h1-6H2
InChIKey
KWGFISNERABFPJ-UHFFFAOYSA-N
Compound name
4-(2-chloroethyl)-1,4-thiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

197.02773 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03501 134.9
[M+Na]+ 220.01695 143.3
[M-H]- 196.02045 137.1
[M+NH4]+ 215.06155 156.3
[M+K]+ 235.99089 140.3
[M+H-H2O]+ 180.02499 130.8
[M+HCOO]- 242.02593 145.8
[M+CH3COO]- 256.04158 176.8
[M+Na-2H]- 218.00240 138.7
[M]+ 197.02718 136.1
[M]- 197.02828 136.1
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

patents stripe