CID 57365301

2-[3-(benzyloxy)-5-fluorophenyl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C15H16FNO
SMILES
C1=CC=C(C=C1)COC2=CC(=CC(=C2)CCN)F
InChI
InChI=1S/C15H16FNO/c16-14-8-13(6-7-17)9-15(10-14)18-11-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11,17H2
InChIKey
QSTWGMDYDKOMRH-UHFFFAOYSA-N
Compound name
2-(3-fluoro-5-phenylmethoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1216 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12888 154.8
[M+Na]+ 268.11082 162.1
[M-H]- 244.11432 159.7
[M+NH4]+ 263.15542 171.7
[M+K]+ 284.08476 157.6
[M+H-H2O]+ 228.11886 146.2
[M+HCOO]- 290.11980 178.5
[M+CH3COO]- 304.13545 196.2
[M+Na-2H]- 266.09627 159.6
[M]+ 245.12105 153.7
[M]- 245.12215 153.7
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

No patent data available for this compound.