CID 4962213

753394-01-3

Structural Information

Molecular Formula
C9H12FNS
SMILES
C1=CC=C(C(=C1)CSCCN)F
InChI
InChI=1S/C9H12FNS/c10-9-4-2-1-3-8(9)7-12-6-5-11/h1-4H,5-7,11H2
InChIKey
OFXJIZFPXNTYGU-UHFFFAOYSA-N
Compound name
2-[(2-fluorophenyl)methylsulfanyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

185.06744 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07472 137.0
[M+Na]+ 208.05666 148.2
[M+NH4]+ 203.10126 146.0
[M+K]+ 224.03060 139.1
[M-H]- 184.06016 139.2
[M+Na-2H]- 206.04211 143.2
[M]+ 185.06689 139.6
[M]- 185.06799 139.6
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