CID 97988307

4-(iodoethynyl)-1,1'-biphenyl

Structural Information

Molecular Formula
C14H9I
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C#CI
InChI
InChI=1S/C14H9I/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H
InChIKey
BXBJERLKQQVGPM-UHFFFAOYSA-N
Compound name
1-(2-iodoethynyl)-4-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.9749 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.98218 154.1
[M+Na]+ 326.96412 158.1
[M-H]- 302.96762 151.6
[M+NH4]+ 322.00872 166.5
[M+K]+ 342.93806 156.2
[M+H-H2O]+ 286.97216 138.4
[M+HCOO]- 348.97310 167.7
[M+CH3COO]- 362.98875 161.4
[M+Na-2H]- 324.94957 148.7
[M]+ 303.97435 145.3
[M]- 303.97545 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.