CID 65127517

1-(2,4-difluorophenyl)-3-(ethylsulfanyl)propan-2-amine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.08932 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09660 147.4
[M+Na]+ 254.07854 154.8
[M-H]- 230.08204 147.9
[M+NH4]+ 249.12314 165.7
[M+K]+ 270.05248 150.5
[M+H-H2O]+ 214.08658 139.4
[M+HCOO]- 276.08752 163.0
[M+CH3COO]- 290.10317 193.9
[M+Na-2H]- 252.06399 146.9
[M]+ 231.08877 146.3
[M]- 231.08987 146.3
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.