CID 198970

3576-68-9

Structural Information

Molecular Formula
C14H17Cl2NO5S
SMILES
CC(=O)OCCN(CC1=CC=C(C=C1)S(=O)(=O)C)C(=O)C(Cl)Cl
InChI
InChI=1S/C14H17Cl2NO5S/c1-10(18)22-8-7-17(14(19)13(15)16)9-11-3-5-12(6-4-11)23(2,20)21/h3-6,13H,7-9H2,1-2H3
InChIKey
FJEZIJKFMNSOQU-UHFFFAOYSA-N
Compound name
2-[(2,2-dichloroacetyl)-[(4-methylsulfonylphenyl)methyl]amino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.02045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.02773 182.0
[M+Na]+ 404.00967 191.1
[M+NH4]+ 399.05427 187.0
[M+K]+ 419.98361 185.4
[M-H]- 380.01317 180.9
[M+Na-2H]- 401.99512 184.8
[M]+ 381.01990 183.7
[M]- 381.02100 183.7
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.