CID 198960

M&b 4321

Structural Information

Molecular Formula
C12H15Cl2NO4S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)CN(CCO)C(=O)C(Cl)Cl
InChI
InChI=1S/C12H15Cl2NO4S/c1-20(18,19)10-4-2-9(3-5-10)8-15(6-7-16)12(17)11(13)14/h2-5,11,16H,6-8H2,1H3
InChIKey
OPFDKKDNWVSUGM-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-(2-hydroxyethyl)-N-[(4-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 167.6
[M+Na]+ 361.99912 174.6
[M-H]- 338.00262 171.2
[M+NH4]+ 357.04372 182.7
[M+K]+ 377.97306 170.2
[M+H-H2O]+ 322.00716 163.6
[M+HCOO]- 384.00810 174.6
[M+CH3COO]- 398.02375 206.1
[M+Na-2H]- 359.98457 168.1
[M]+ 339.00935 174.8
[M]- 339.01045 174.8
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.