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

755
Patents

178.07825 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08553 142.2
[M+Na]+ 201.06747 153.2
[M-H]- 177.07097 146.7
[M+NH4]+ 196.11207 159.9
[M+K]+ 217.04141 146.1
[M+H-H2O]+ 161.07551 129.7
[M+HCOO]- 223.07645 160.7
[M+CH3COO]- 237.09210 154.1
[M+Na-2H]- 199.05292 148.2
[M]+ 178.07770 135.6
[M]- 178.07880 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