CID 598749

2-fluoro-4,5-dimethoxyaniline

Structural Information

Molecular Formula

C₈H₁₀FNO₂

SMILES

COC1=C(C=C(C(=C1)N)F)OC

InChI

InChI=1S/C8H10FNO2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,10H2,1-2H3

InChIKey

LDYNLRCFVQFFNO-UHFFFAOYSA-N

Compound name

2-fluoro-4,5-dimethoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 171.06955 Da
Monoisotopic Mass: 1.3
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]+	172.07683	133.2
[M+Na]+	194.05877	145.0
[M+NH4]+	189.10337	140.9
[M+K]+	210.03271	139.5
[M-H]-	170.06227	134.3
[M+Na-2H]-	192.04422	139.1
[M]+	171.06900	135.0
[M]-	171.07010	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe