CID 3563583

4,4''-diiodo-p-terphenyl

Structural Information

Molecular Formula
C18H12I2
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)I)C3=CC=C(C=C3)I
InChI
InChI=1S/C18H12I2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12H
InChIKey
QGMMWGLDOBFHTL-UHFFFAOYSA-N
Compound name
1,4-bis(4-iodophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

279
Patents

481.90286 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.91014 179.2
[M+Na]+ 504.89208 172.5
[M-H]- 480.89558 174.3
[M+NH4]+ 499.93668 184.5
[M+K]+ 520.86602 178.7
[M+H-H2O]+ 464.90012 164.5
[M+HCOO]- 526.90106 190.3
[M+CH3COO]- 540.91671 181.4
[M+Na-2H]- 502.87753 166.1
[M]+ 481.90231 172.7
[M]- 481.90341 172.7
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