CID 10749694

2,4-dimethoxy-5-fluoroaniline

Structural Information

Molecular Formula

C₈H₁₀FNO₂

SMILES

COC1=CC(=C(C=C1N)F)OC

InChI

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

InChIKey

QOIDQMOZTRAYET-UHFFFAOYSA-N

Compound name

5-fluoro-2,4-dimethoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
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	131.7
[M+Na]+	194.05877	141.5
[M-H]-	170.06227	134.6
[M+NH4]+	189.10337	152.4
[M+K]+	210.03271	140.1
[M+H-H2O]+	154.06681	125.3
[M+HCOO]-	216.06775	156.4
[M+CH3COO]-	230.08340	182.7
[M+Na-2H]-	192.04422	137.0
[M]+	171.06900	132.4
[M]-	171.07010	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe