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

14
Patents

171.0518 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.059076 131.3
[M+Na]+ 194.041018 139.5
[M-H]- 170.044524 133.4
[M+NH4]+ 189.085623 152.0
[M+K]+ 210.014958 135.8
[M+H-H2O]+ 154.049060 124.7
[M+HCOO]- 216.050001 150.1
[M+CH3COO]- 230.065651 180.1
[M+Na-2H]- 192.026466 134.8
[M]+ 171.05125142 130.5
[M]- 171.05234858 130.5
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

patents stripe