CID 57458869

3-fluoroethamphetamine

Structural Information

Molecular Formula

C₁₁H₁₆FN

SMILES

CCNC(C)CC1=CC(=CC=C1)F

InChI

InChI=1S/C11H16FN/c1-3-13-9(2)7-10-5-4-6-11(12)8-10/h4-6,8-9,13H,3,7H2,1-2H3

InChIKey

CKPWHLGHHXSVJI-UHFFFAOYSA-N

Compound name

N-ethyl-1-(3-fluorophenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 181.12668 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	182.133956	140.0
[M+Na]+	204.115898	146.4
[M-H]-	180.119404	142.2
[M+NH4]+	199.160503	159.9
[M+K]+	220.089838	144.1
[M+H-H2O]+	164.123940	133.1
[M+HCOO]-	226.124881	162.9
[M+CH3COO]-	240.140531	186.9
[M+Na-2H]-	202.101346	144.9
[M]+	181.12613142	138.5
[M]-	181.12722858	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe