CID 124491845

2803755-69-1

Structural Information

Molecular Formula
C9H12FN
SMILES
CN[C@H](CF)C1=CC=CC=C1
InChI
InChI=1S/C9H12FN/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-/m1/s1
InChIKey
JSAXNKBEQLQLKN-SECBINFHSA-N
Compound name
(1S)-2-fluoro-N-methyl-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.09538 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.102656 131.0
[M+Na]+ 176.084598 137.3
[M-H]- 152.088104 133.1
[M+NH4]+ 171.129203 151.7
[M+K]+ 192.058538 135.4
[M+H-H2O]+ 136.092640 124.2
[M+HCOO]- 198.093581 154.6
[M+CH3COO]- 212.109231 179.7
[M+Na-2H]- 174.070046 137.7
[M]+ 153.09483142 128.4
[M]- 153.09592858 128.4
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.