CID 3614659

79270-76-1

Structural Information

Molecular Formula
C8H10FNS
SMILES
C1=CC(=CC=C1F)SCCN
InChI
InChI=1S/C8H10FNS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6,10H2
InChIKey
VVAKGUUGRVPWTA-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

171.0518 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05908 132.6
[M+Na]+ 194.04102 143.9
[M+NH4]+ 189.08562 141.8
[M+K]+ 210.01496 135.1
[M-H]- 170.04452 134.8
[M+Na-2H]- 192.02647 139.0
[M]+ 171.05125 135.2
[M]- 171.05235 135.2
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

patents stripe