CID 2057142

Phenethylamine, n-(p-fluorobenzyl)-, hydrochloride

Structural Information

Molecular Formula
C15H16FN
SMILES
C1=CC=C(C=C1)CCNCC2=CC=C(C=C2)F
InChI
InChI=1S/C15H16FN/c16-15-8-6-14(7-9-15)12-17-11-10-13-4-2-1-3-5-13/h1-9,17H,10-12H2
InChIKey
WXGMUZSBRWOLGV-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

229.12668 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13396 150.7
[M+Na]+ 252.11590 157.0
[M-H]- 228.11940 155.6
[M+NH4]+ 247.16050 168.2
[M+K]+ 268.08984 152.3
[M+H-H2O]+ 212.12394 142.1
[M+HCOO]- 274.12488 174.7
[M+CH3COO]- 288.14053 193.7
[M+Na-2H]- 250.10135 157.3
[M]+ 229.12613 148.7
[M]- 229.12723 148.7
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