CID 43141546

1042659-03-9

Structural Information

Molecular Formula

C₁₄H₁₂BrFO

SMILES

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

InChI

InChI=1S/C14H12BrFO/c15-9-11-5-7-13(8-6-11)17-10-12-3-1-2-4-14(12)16/h1-8H,9-10H2

InChIKey

DEOCIELKSLVREY-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-4-[(2-fluorophenyl)methoxy]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 294.00555 Da
Monoisotopic Mass: 4.0
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]+	295.01283	158.4
[M+Na]+	316.99477	169.7
[M-H]-	292.99827	166.3
[M+NH4]+	312.03937	177.6
[M+K]+	332.96871	157.7
[M+H-H2O]+	277.00281	156.8
[M+HCOO]-	339.00375	179.4
[M+CH3COO]-	353.01940	198.4
[M+Na-2H]-	314.98022	165.0
[M]+	294.00500	177.1
[M]-	294.00610	177.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe