CID 2756639

5-benzyloxy-2-bromotoluene

Structural Information

Molecular Formula

C₁₄H₁₃BrO

SMILES

CC1=C(C=CC(=C1)OCC2=CC=CC=C2)Br

InChI

InChI=1S/C14H13BrO/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3

InChIKey

KOLLVAZFQFRSHI-UHFFFAOYSA-N

Compound name

1-bromo-2-methyl-4-phenylmethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 199
Patents: 276.01498 Da
Monoisotopic Mass: 4.4
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	154.1
[M+Na]+	299.00420	165.4
[M-H]-	275.00770	163.4
[M+NH4]+	294.04880	174.1
[M+K]+	314.97814	153.9
[M+H-H2O]+	259.01224	153.5
[M+HCOO]-	321.01318	176.1
[M+CH3COO]-	335.02883	195.9
[M+Na-2H]-	296.98965	161.5
[M]+	276.01443	173.9
[M]-	276.01553	173.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe