CID 11254408

1-[(benzyloxy)methyl]-4-bromobenzene

Structural Information

Molecular Formula

C₁₄H₁₃BrO

SMILES

C1=CC=C(C=C1)COCC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H13BrO/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9H,10-11H2

InChIKey

ZXRUEEXLUHVBQW-UHFFFAOYSA-N

Compound name

1-bromo-4-(phenylmethoxymethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 276.01498 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]+	277.02226	154.6
[M+Na]+	299.00420	165.0
[M-H]-	275.00770	163.5
[M+NH4]+	294.04880	174.2
[M+K]+	314.97814	153.5
[M+H-H2O]+	259.01224	153.9
[M+HCOO]-	321.01318	176.6
[M+CH3COO]-	335.02883	194.9
[M+Na-2H]-	296.98965	162.6
[M]+	276.01443	174.0
[M]-	276.01553	174.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe