CID 62694034

[1-(4-fluorophenyl)-3-(methylsulfanyl)propan-2-yl](methyl)amine hydrochloride

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 145.1
[M+Na]+ 236.08797 151.6
[M-H]- 212.09147 147.2
[M+NH4]+ 231.13257 164.2
[M+K]+ 252.06191 148.1
[M+H-H2O]+ 196.09601 137.8
[M+HCOO]- 258.09695 162.5
[M+CH3COO]- 272.11260 190.7
[M+Na-2H]- 234.07342 146.8
[M]+ 213.09820 145.7
[M]- 213.09930 145.7
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.