CID 19627217

1431963-13-1

Structural Information

Molecular Formula

C₁₂H₁₀FNO

SMILES

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

InChI

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

InChIKey

SYUZQKSUMLAOIB-UHFFFAOYSA-N

Compound name

3-fluoro-4-phenoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 203.07465 Da
Monoisotopic Mass: 2.9
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	140.9
[M+Na]+	226.06387	149.5
[M-H]-	202.06737	146.3
[M+NH4]+	221.10847	159.5
[M+K]+	242.03781	145.7
[M+H-H2O]+	186.07191	133.0
[M+HCOO]-	248.07285	165.6
[M+CH3COO]-	262.08850	187.2
[M+Na-2H]-	224.04932	147.4
[M]+	203.07410	138.7
[M]-	203.07520	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe