CID 16227007

879319-18-3

Structural Information

Molecular Formula
C9H16ClNO3S
SMILES
CCN(C1CCS(=O)(=O)C1)C(=O)C(C)Cl
InChI
InChI=1S/C9H16ClNO3S/c1-3-11(9(12)7(2)10)8-4-5-15(13,14)6-8/h7-8H,3-6H2,1-2H3
InChIKey
VOIBFKKTLCVMCG-UHFFFAOYSA-N
Compound name
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.05394 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.06122 152.9
[M+Na]+ 276.04316 160.0
[M-H]- 252.04666 157.9
[M+NH4]+ 271.08776 175.3
[M+K]+ 292.01710 158.1
[M+H-H2O]+ 236.05120 149.5
[M+HCOO]- 298.05214 166.0
[M+CH3COO]- 312.06779 193.3
[M+Na-2H]- 274.02861 151.9
[M]+ 253.05339 157.0
[M]- 253.05449 157.0
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

No patent data available for this compound.