CID 155804394

2451481-08-4

Structural Information

Molecular Formula
C11H20ClNO3S
SMILES
CC(C)(C)CN(C1CCS(=O)(=O)C1)C(=O)CCl
InChI
InChI=1S/C11H20ClNO3S/c1-11(2,3)8-13(10(14)6-12)9-4-5-17(15,16)7-9/h9H,4-8H2,1-3H3
InChIKey
NMHVAHHYKGXBMY-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,2-dimethylpropyl)-N-(1,1-dioxothiolan-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

281.08524 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.09252 161.9
[M+Na]+ 304.07446 168.9
[M-H]- 280.07796 166.8
[M+NH4]+ 299.11906 183.4
[M+K]+ 320.04840 166.5
[M+H-H2O]+ 264.08250 158.7
[M+HCOO]- 326.08344 173.9
[M+CH3COO]- 340.09909 198.0
[M+Na-2H]- 302.05991 162.2
[M]+ 281.08469 166.7
[M]- 281.08579 166.7
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.