CID 62692768

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

Structural Information

Molecular Formula
C10H13F2NS
SMILES
CSCC(CC1=C(C=C(C=C1)F)F)N
InChI
InChI=1S/C10H13F2NS/c1-14-6-9(13)4-7-2-3-8(11)5-10(7)12/h2-3,5,9H,4,6,13H2,1H3
InChIKey
CSDLWBZNGGEAGJ-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-3-methylsulfanylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.07367 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08095 142.9
[M+Na]+ 240.06289 150.7
[M-H]- 216.06639 143.6
[M+NH4]+ 235.10749 161.8
[M+K]+ 256.03683 146.6
[M+H-H2O]+ 200.07093 135.1
[M+HCOO]- 262.07187 158.9
[M+CH3COO]- 276.08752 190.9
[M+Na-2H]- 238.04834 142.9
[M]+ 217.07312 141.4
[M]- 217.07422 141.4
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.