CID 20164284

Benzyl(2-fluoroethyl)amine hydrochloride

Structural Information

Molecular Formula
C9H12FN
SMILES
C1=CC=C(C=C1)CNCCF
InChI
InChI=1S/C9H12FN/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKey
QEDZNQOBLQGNBX-UHFFFAOYSA-N
Compound name
N-benzyl-2-fluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

153.09538 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.102656 130.2
[M+Na]+ 176.084598 136.8
[M-H]- 152.088104 132.2
[M+NH4]+ 171.129203 151.0
[M+K]+ 192.058538 134.4
[M+H-H2O]+ 136.092640 123.4
[M+HCOO]- 198.093581 154.8
[M+CH3COO]- 212.109231 178.9
[M+Na-2H]- 174.070046 138.3
[M]+ 153.09483142 128.3
[M]- 153.09592858 128.3
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