CID 4434547

114943-73-6

Structural Information

Molecular Formula

C₁₅H₁₂Br₂O

SMILES

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

InChI

InChI=1S/C15H12Br2O/c16-15(17)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h1-10H,11H2

InChIKey

ILFBOHFMJNVFFL-UHFFFAOYSA-N

Compound name

1-(2,2-dibromoethenyl)-4-phenylmethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 365.92548 Da
Monoisotopic Mass: 5.8
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]+	366.93276	160.6
[M+Na]+	388.91470	169.5
[M-H]-	364.91820	169.1
[M+NH4]+	383.95930	177.2
[M+K]+	404.88864	154.0
[M+H-H2O]+	348.92274	168.2
[M+HCOO]-	410.92368	176.1
[M+CH3COO]-	424.93933	212.1
[M+Na-2H]-	386.90015	166.4
[M]+	365.92493	194.4
[M]-	365.92603	194.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe