CID 2118103

1158224-25-9

Structural Information

Molecular Formula
C9H12FNS
SMILES
C1=CC(=CC=C1F)SCCCN
InChI
InChI=1S/C9H12FNS/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,6-7,11H2
InChIKey
KGFSXFABRSWLDN-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)sulfanylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

185.06744 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07472 135.8
[M+Na]+ 208.05666 143.5
[M-H]- 184.06016 137.7
[M+NH4]+ 203.10126 155.9
[M+K]+ 224.03060 139.6
[M+H-H2O]+ 168.06470 128.9
[M+HCOO]- 230.06564 154.3
[M+CH3COO]- 244.08129 183.1
[M+Na-2H]- 206.04211 138.7
[M]+ 185.06689 135.3
[M]- 185.06799 135.3
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