CID 3852690

3-(2-chloroethanesulfonyl)propanamide

Structural Information

Molecular Formula
C5H10ClNO3S
SMILES
C(CS(=O)(=O)CCCl)C(=O)N
InChI
InChI=1S/C5H10ClNO3S/c6-2-4-11(9,10)3-1-5(7)8/h1-4H2,(H2,7,8)
InChIKey
XWTOTNHGSMIASZ-UHFFFAOYSA-N
Compound name
3-(2-chloroethylsulfonyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

199.00699 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.01427 137.7
[M+Na]+ 221.99621 145.7
[M-H]- 197.99971 137.9
[M+NH4]+ 217.04081 157.6
[M+K]+ 237.97015 142.4
[M+H-H2O]+ 182.00425 134.0
[M+HCOO]- 244.00519 150.9
[M+CH3COO]- 258.02084 180.4
[M+Na-2H]- 219.98166 140.3
[M]+ 199.00644 141.5
[M]- 199.00754 141.5
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