CID 61024377

2460750-86-9

Structural Information

Molecular Formula
C9H12FNS
SMILES
CC(C1=C(C=CC=C1SC)F)N
InChI
InChI=1S/C9H12FNS/c1-6(11)9-7(10)4-3-5-8(9)12-2/h3-6H,11H2,1-2H3
InChIKey
BVVQVYIHOWQIHW-UHFFFAOYSA-N
Compound name
1-(2-fluoro-6-methylsulfanylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.06744 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07472 137.9
[M+Na]+ 208.05666 149.0
[M+NH4]+ 203.10126 146.8
[M+K]+ 224.03060 140.9
[M-H]- 184.06016 139.9
[M+Na-2H]- 206.04211 143.5
[M]+ 185.06689 140.4
[M]- 185.06799 140.4
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

No patent data available for this compound.