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

150
Patents

197.02773 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.035006 134.9
[M+Na]+ 220.016948 143.3
[M-H]- 196.020454 137.1
[M+NH4]+ 215.061553 156.3
[M+K]+ 235.990888 140.3
[M+H-H2O]+ 180.024990 130.8
[M+HCOO]- 242.025931 145.8
[M+CH3COO]- 256.041581 176.8
[M+Na-2H]- 218.002396 138.7
[M]+ 197.02718142 136.1
[M]- 197.02827858 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