CID 3448015

3-(2-chloro-ethanesulfonyl)-2-methyl-propionamide

Structural Information

Molecular Formula
C6H12ClNO3S
SMILES
CC(CS(=O)(=O)CCCl)C(=O)N
InChI
InChI=1S/C6H12ClNO3S/c1-5(6(8)9)4-12(10,11)3-2-7/h5H,2-4H2,1H3,(H2,8,9)
InChIKey
UIPUDJWUPAWJEL-UHFFFAOYSA-N
Compound name
3-(2-chloroethylsulfonyl)-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.02264 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02992 141.8
[M+Na]+ 236.01186 149.1
[M-H]- 212.01536 141.9
[M+NH4]+ 231.05646 161.1
[M+K]+ 251.98580 146.0
[M+H-H2O]+ 196.01990 138.0
[M+HCOO]- 258.02084 153.7
[M+CH3COO]- 272.03649 184.3
[M+Na-2H]- 233.99731 142.9
[M]+ 213.02209 145.4
[M]- 213.02319 145.4
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.