CID 7095

Biphenyl

Structural Information

Molecular Formula

C₁₂H₁₀

SMILES

C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H

InChIKey

ZUOUZKKEUPVFJK-UHFFFAOYSA-N

Compound name

1,1'-biphenyl

Related CIDs

2D Structure

compound 2d structure

11
Annotation Hits: 7928
References: 171656
Patents: 154.07825 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]+	155.085526	129.9
[M+Na]+	177.067468	137.5
[M-H]-	153.070974	136.7
[M+NH4]+	172.112073	150.6
[M+K]+	193.041408	134.1
[M+H-H2O]+	137.075510	123.4
[M+HCOO]-	199.076451	155.1
[M+CH3COO]-	213.092101	144.2
[M+Na-2H]-	175.052916	139.3
[M]+	154.07770142	128.3
[M]-	154.07879858	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe