CID 19627132

5-fluoro-2-phenoxyaniline

Structural Information

Molecular Formula

C₁₂H₁₀FNO

SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2)F)N

InChI

InChI=1S/C12H10FNO/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8H,14H2

InChIKey

RMYDPTVQMJEGLG-UHFFFAOYSA-N

Compound name

5-fluoro-2-phenoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 203.07465 Da
Monoisotopic Mass: 2.6
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]+	204.08193	142.7
[M+Na]+	226.06387	156.8
[M+NH4]+	221.10847	151.6
[M+K]+	242.03781	149.0
[M-H]-	202.06737	147.0
[M+Na-2H]-	224.04932	152.4
[M]+	203.07410	145.9
[M]-	203.07520	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe