CID 65128147

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

Structural Information

Molecular Formula
C12H17F2NS
SMILES
CCSCC(CC1=C(C=C(C=C1)F)F)NC
InChI
InChI=1S/C12H17F2NS/c1-3-16-8-11(15-2)6-9-4-5-10(13)7-12(9)14/h4-5,7,11,15H,3,6,8H2,1-2H3
InChIKey
PJONRLOZUOJSIA-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-3-ethylsulfanyl-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.10498 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11226 151.5
[M+Na]+ 268.09420 158.4
[M-H]- 244.09770 152.3
[M+NH4]+ 263.13880 169.5
[M+K]+ 284.06814 154.2
[M+H-H2O]+ 228.10224 143.2
[M+HCOO]- 290.10318 167.4
[M+CH3COO]- 304.11883 197.5
[M+Na-2H]- 266.07965 151.5
[M]+ 245.10443 151.7
[M]- 245.10553 151.7
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.