CID 3581036

5553-25-3

Structural Information

Molecular Formula
C12H20ClNO3S
SMILES
C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)CCl
InChI
InChI=1S/C12H20ClNO3S/c13-8-12(15)14(10-4-2-1-3-5-10)11-6-7-18(16,17)9-11/h10-11H,1-9H2
InChIKey
NEISTALGUSTYIU-UHFFFAOYSA-N
Compound name
2-chloro-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

293.08524 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.09252 165.9
[M+Na]+ 316.07446 170.5
[M-H]- 292.07796 172.8
[M+NH4]+ 311.11906 186.2
[M+K]+ 332.04840 167.6
[M+H-H2O]+ 276.08250 161.1
[M+HCOO]- 338.08344 176.4
[M+CH3COO]- 352.09909 198.1
[M+Na-2H]- 314.05991 164.1
[M]+ 293.08469 165.2
[M]- 293.08579 165.2
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