CID 61024377

1-[2-fluoro-6-(methylsulfanyl)phenyl]ethan-1-amine; acetic acid

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 136.1
[M+Na]+ 208.05666 144.4
[M-H]- 184.06016 138.5
[M+NH4]+ 203.10126 156.4
[M+K]+ 224.03060 141.0
[M+H-H2O]+ 168.06470 129.6
[M+HCOO]- 230.06564 153.5
[M+CH3COO]- 244.08129 185.1
[M+Na-2H]- 206.04211 137.2
[M]+ 185.06689 135.4
[M]- 185.06799 135.4
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.