CID 88542

3-iodobiphenyl

Structural Information

Molecular Formula
C12H9I
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)I
InChI
InChI=1S/C12H9I/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
InChIKey
KAQUBIATNWQNRE-UHFFFAOYSA-N
Compound name
1-iodo-3-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

511
Patents

279.9749 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.98218 142.7
[M+Na]+ 302.96412 143.7
[M-H]- 278.96762 142.0
[M+NH4]+ 298.00872 157.8
[M+K]+ 318.93806 145.9
[M+H-H2O]+ 262.97216 132.4
[M+HCOO]- 324.97310 162.2
[M+CH3COO]- 338.98875 152.2
[M+Na-2H]- 300.94957 138.8
[M]+ 279.97435 138.9
[M]- 279.97545 138.9
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.