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

39
Patents

153.09538 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.10266 130.2
[M+Na]+ 176.08460 136.8
[M-H]- 152.08810 132.2
[M+NH4]+ 171.12920 151.0
[M+K]+ 192.05854 134.4
[M+H-H2O]+ 136.09264 123.4
[M+HCOO]- 198.09358 154.8
[M+CH3COO]- 212.10923 178.9
[M+Na-2H]- 174.07005 138.3
[M]+ 153.09483 128.3
[M]- 153.09593 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