CID 62692359

[1-(2,4-difluorophenyl)-3-(methylsulfanyl)propan-2-yl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C11H15F2NS
SMILES
CNC(CC1=C(C=C(C=C1)F)F)CSC
InChI
InChI=1S/C11H15F2NS/c1-14-10(7-15-2)5-8-3-4-9(12)6-11(8)13/h3-4,6,10,14H,5,7H2,1-2H3
InChIKey
INDWNERZUJOKNZ-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.08932 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.096596 147.0
[M+Na]+ 254.078538 154.3
[M-H]- 230.082044 148.0
[M+NH4]+ 249.123143 165.5
[M+K]+ 270.052478 150.4
[M+H-H2O]+ 214.086580 138.9
[M+HCOO]- 276.087521 163.2
[M+CH3COO]- 290.103171 194.5
[M+Na-2H]- 252.063986 147.5
[M]+ 231.08877142 146.8
[M]- 231.08986858 146.8
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.