CID 198969

3576-65-6

Structural Information

Molecular Formula
C12H15Cl2NO2S
SMILES
CSC1=CC=C(C=C1)CN(CCO)C(=O)C(Cl)Cl
InChI
InChI=1S/C12H15Cl2NO2S/c1-18-10-4-2-9(3-5-10)8-15(6-7-16)12(17)11(13)14/h2-5,11,16H,6-8H2,1H3
InChIKey
HVMXIEQXUSVJTC-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.02005 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.02733 163.2
[M+Na]+ 330.00927 169.7
[M-H]- 306.01277 166.3
[M+NH4]+ 325.05387 179.7
[M+K]+ 345.98321 164.7
[M+H-H2O]+ 290.01731 158.9
[M+HCOO]- 352.01825 170.7
[M+CH3COO]- 366.03390 203.2
[M+Na-2H]- 327.99472 162.3
[M]+ 307.01950 169.3
[M]- 307.02060 169.3
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.