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 131.3
[M+Na]+ 194.04102 139.5
[M-H]- 170.04452 133.4
[M+NH4]+ 189.08562 152.0
[M+K]+ 210.01496 135.8
[M+H-H2O]+ 154.04906 124.7
[M+HCOO]- 216.05000 150.1
[M+CH3COO]- 230.06565 180.1
[M+Na-2H]- 192.02647 134.8
[M]+ 171.05125 130.5
[M]- 171.05235 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