CID 3154545

[(2-fluorophenyl)methyl](prop-2-en-1-yl)amine hydrochloride

Structural Information

Molecular Formula
C10H12FN
SMILES
C=CCNCC1=CC=CC=C1F
InChI
InChI=1S/C10H12FN/c1-2-7-12-8-9-5-3-4-6-10(9)11/h2-6,12H,1,7-8H2
InChIKey
RGDCZMFWIHVJIT-UHFFFAOYSA-N
Compound name
N-[(2-fluorophenyl)methyl]prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

165.09538 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.102656 133.3
[M+Na]+ 188.084598 140.7
[M-H]- 164.088104 135.6
[M+NH4]+ 183.129203 153.8
[M+K]+ 204.058538 137.5
[M+H-H2O]+ 148.092640 126.6
[M+HCOO]- 210.093581 157.7
[M+CH3COO]- 224.109231 182.2
[M+Na-2H]- 186.070046 140.1
[M]+ 165.09483142 131.4
[M]- 165.09592858 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe