CID 62694034

2225147-50-0

Structural Information

Molecular Formula
C11H16FNS
SMILES
CNC(CC1=CC=C(C=C1)F)CSC
InChI
InChI=1S/C11H16FNS/c1-13-11(8-14-2)7-9-3-5-10(12)6-4-9/h3-6,11,13H,7-8H2,1-2H3
InChIKey
KLSIBWTZNWZCCS-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.09875 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10603 146.4
[M+Na]+ 236.08797 157.1
[M+NH4]+ 231.13257 155.1
[M+K]+ 252.06191 148.1
[M-H]- 212.09147 148.5
[M+Na-2H]- 234.07342 152.2
[M]+ 213.09820 148.9
[M]- 213.09930 148.9
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.