CID 34464

4-ethynyl-1,1'-biphenyl

Structural Information

Molecular Formula
C14H10
SMILES
C#CC1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C14H10/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h1,3-11H
InChIKey
BPBNKCIVWFCMJY-UHFFFAOYSA-N
Compound name
1-ethynyl-4-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

735
Patents

178.07825 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.085526 142.2
[M+Na]+ 201.067468 153.2
[M-H]- 177.070974 146.7
[M+NH4]+ 196.112073 159.9
[M+K]+ 217.041408 146.1
[M+H-H2O]+ 161.075510 129.7
[M+HCOO]- 223.076451 160.7
[M+CH3COO]- 237.092101 154.1
[M+Na-2H]- 199.052916 148.2
[M]+ 178.07770142 135.6
[M]- 178.07879858 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe