CID 2735992

1-(benzyloxy)-4-fluorobenzene

Structural Information

Molecular Formula

C₁₃H₁₁FO

SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)F

InChI

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

InChIKey

GOJNJAKUQZLPPP-UHFFFAOYSA-N

Compound name

1-fluoro-4-phenylmethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
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]+	203.086666	141.0
[M+Na]+	225.068608	149.1
[M-H]-	201.072114	146.5
[M+NH4]+	220.113213	160.0
[M+K]+	241.042548	145.6
[M+H-H2O]+	185.076650	133.1
[M+HCOO]-	247.077591	165.0
[M+CH3COO]-	261.093241	184.9
[M+Na-2H]-	223.054056	148.4
[M]+	202.07884142	140.5
[M]-	202.07993858	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe