CID 2772273

852399-83-8

Structural Information

Molecular Formula
C11H18ClNO4S
SMILES
C1CC(OC1)CN(C2CCS(=O)(=O)C2)C(=O)CCl
InChI
InChI=1S/C11H18ClNO4S/c12-6-11(14)13(7-10-2-1-4-17-10)9-3-5-18(15,16)8-9/h9-10H,1-8H2
InChIKey
WCWHQZCCLNJYHW-UHFFFAOYSA-N
Compound name
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

295.0645 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.07178 166.9
[M+Na]+ 318.05372 172.9
[M-H]- 294.05722 175.2
[M+NH4]+ 313.09832 187.7
[M+K]+ 334.02766 171.8
[M+H-H2O]+ 278.06176 163.2
[M+HCOO]- 340.06270 179.3
[M+CH3COO]- 354.07835 197.2
[M+Na-2H]- 316.03917 165.3
[M]+ 295.06395 170.0
[M]- 295.06505 170.0
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