CID 65128147

2418707-89-6

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 154.6
[M+Na]+ 268.09420 164.2
[M+NH4]+ 263.13880 162.1
[M+K]+ 284.06814 155.4
[M-H]- 244.09770 154.9
[M+Na-2H]- 266.07965 158.9
[M]+ 245.10443 156.3
[M]- 245.10553 156.3
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.