CID 2758994

3-fluoro-3'-methoxybiphenyl

Structural Information

Molecular Formula

C₁₃H₁₁FO

SMILES

COC1=CC=CC(=C1)C2=CC(=CC=C2)F

InChI

InChI=1S/C13H11FO/c1-15-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2-9H,1H3

InChIKey

YRAKETYYOXEFJL-UHFFFAOYSA-N

Compound name

1-fluoro-3-(3-methoxyphenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 202.07939 Da
Monoisotopic Mass: 3.6
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]+	203.08667	140.6
[M+Na]+	225.06861	149.7
[M-H]-	201.07211	146.6
[M+NH4]+	220.11321	159.9
[M+K]+	241.04255	146.2
[M+H-H2O]+	185.07665	132.9
[M+HCOO]-	247.07759	164.6
[M+CH3COO]-	261.09324	186.0
[M+Na-2H]-	223.05406	147.3
[M]+	202.07884	140.5
[M]-	202.07994	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe