CID 2760895

19962-21-1

Structural Information

Molecular Formula

C₁₃H₁₁FO

SMILES

C1=CC=C(C=C1)OCC2=CC(=CC=C2)F

InChI

InChI=1S/C13H11FO/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9H,10H2

InChIKey

CZGNXONBQOCVJM-UHFFFAOYSA-N

Compound name

1-fluoro-3-(phenoxymethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 99
Patents: 202.07939 Da
Monoisotopic Mass: 3.9
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]+	203.08667	141.0
[M+Na]+	225.06861	149.1
[M-H]-	201.07211	146.5
[M+NH4]+	220.11321	160.0
[M+K]+	241.04255	145.6
[M+H-H2O]+	185.07665	133.1
[M+HCOO]-	247.07759	165.0
[M+CH3COO]-	261.09324	184.9
[M+Na-2H]-	223.05406	148.4
[M]+	202.07884	140.5
[M]-	202.07994	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe