CID 204801

Ethylamine, 2-((2,4-dichlorophenyl)thio)-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C10H13Cl2NS
SMILES
CN(C)CCSC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H13Cl2NS/c1-13(2)5-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,5-6H2,1-2H3
InChIKey
LPSAPANWPXXAQX-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)sulfanyl-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.01457 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.02185 149.6
[M+Na]+ 272.00379 158.7
[M-H]- 248.00729 154.5
[M+NH4]+ 267.04839 169.6
[M+K]+ 287.97773 153.7
[M+H-H2O]+ 232.01183 145.4
[M+HCOO]- 294.01277 160.3
[M+CH3COO]- 308.02842 197.0
[M+Na-2H]- 269.98924 151.1
[M]+ 249.01402 156.1
[M]- 249.01512 156.1
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.