CID 62692768

2241130-75-4

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 145.8
[M+Na]+ 240.06289 155.4
[M+NH4]+ 235.10749 153.4
[M+K]+ 256.03683 147.4
[M-H]- 216.06639 146.0
[M+Na-2H]- 238.04834 150.2
[M]+ 217.07312 147.5
[M]- 217.07422 147.5
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.