CID 131062334

2-chloro-n-(2-(methyldisulfanyl)ethyl)acetamide

Structural Information

Molecular Formula
C5H10ClNOS2
SMILES
CSSCCNC(=O)CCl
InChI
InChI=1S/C5H10ClNOS2/c1-9-10-3-2-7-5(8)4-6/h2-4H2,1H3,(H,7,8)
InChIKey
YPXXBGWPOITZTQ-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(methyldisulfanyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.98923 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.99651 136.7
[M+Na]+ 221.97845 143.6
[M-H]- 197.98195 136.9
[M+NH4]+ 217.02305 156.9
[M+K]+ 237.95239 139.1
[M+H-H2O]+ 181.98649 132.4
[M+HCOO]- 243.98743 145.0
[M+CH3COO]- 258.00308 182.8
[M+Na-2H]- 219.96390 137.1
[M]+ 198.98868 140.8
[M]- 198.98978 140.8
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.