CID 198961

3570-99-8

Structural Information

Molecular Formula
C12H15Cl2NO4S
SMILES
CS(=O)(=O)C1=CC=CC=C1CN(CCO)C(=O)C(Cl)Cl
InChI
InChI=1S/C12H15Cl2NO4S/c1-20(18,19)10-5-3-2-4-9(10)8-15(6-7-16)12(17)11(13)14/h2-5,11,16H,6-8H2,1H3
InChIKey
JVGZJJWLGNLVKX-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-(2-hydroxyethyl)-N-[(2-methylsulfonylphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0099 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.01718 173.0
[M+Na]+ 361.99912 182.8
[M+NH4]+ 357.04372 179.0
[M+K]+ 377.97306 176.5
[M-H]- 338.00262 172.4
[M+Na-2H]- 359.98457 176.4
[M]+ 339.00935 175.0
[M]- 339.01045 175.0
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.