CID 601389

4714-24-3

Structural Information

Molecular Formula

C₁₄H₁₁Br

SMILES

C1=CC=C(C=C1)C=CC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H11Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H

InChIKey

ZZMMKLVIBZWGPK-UHFFFAOYSA-N

Compound name

1-bromo-4-(2-phenylethenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 288
Patents: 258.00443 Da
Monoisotopic Mass: 5.1
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]+	259.01171	150.0
[M+Na]+	280.99365	161.0
[M-H]-	256.99715	159.1
[M+NH4]+	276.03825	170.5
[M+K]+	296.96759	148.4
[M+H-H2O]+	241.00169	149.8
[M+HCOO]-	303.00263	172.1
[M+CH3COO]-	317.01828	164.9
[M+Na-2H]-	278.97910	158.2
[M]+	258.00388	167.5
[M]-	258.00498	167.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe