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

616
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

literature stripe

Patent stripe

patents stripe