CID 44719499

2,5-dimethoxy-4-fluorophenethylamine

Structural Information

Molecular Formula

C₁₀H₁₄FNO₂

SMILES

COC1=CC(=C(C=C1CCN)OC)F

InChI

InChI=1S/C10H14FNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3

InChIKey

QAVFEDRVOUKIPM-UHFFFAOYSA-N

Compound name

2-(4-fluoro-2,5-dimethoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 218
Patents: 199.10086 Da
Monoisotopic Mass: 1.6
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]+	200.10814	141.1
[M+Na]+	222.09008	150.0
[M-H]-	198.09358	143.6
[M+NH4]+	217.13468	160.6
[M+K]+	238.06402	148.1
[M+H-H2O]+	182.09812	134.3
[M+HCOO]-	244.09906	165.1
[M+CH3COO]-	258.11471	188.7
[M+Na-2H]-	220.07553	145.3
[M]+	199.10031	142.5
[M]-	199.10141	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe