CID 13797298

4,4'-diiodo-2,2'-dimethyl-1,1'-biphenyl

Structural Information

Molecular Formula
C14H12I2
SMILES
CC1=C(C=CC(=C1)I)C2=C(C=C(C=C2)I)C
InChI
InChI=1S/C14H12I2/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2/h3-8H,1-2H3
InChIKey
WHFMNDMHTIOIMS-UHFFFAOYSA-N
Compound name
4-iodo-1-(4-iodo-2-methylphenyl)-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

433.90286 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.91014 160.4
[M+Na]+ 456.89208 155.0
[M-H]- 432.89558 154.3
[M+NH4]+ 451.93668 168.4
[M+K]+ 472.86602 162.9
[M+H-H2O]+ 416.90012 147.7
[M+HCOO]- 478.90106 172.1
[M+CH3COO]- 492.91671 212.7
[M+Na-2H]- 454.87753 147.1
[M]+ 433.90231 155.9
[M]- 433.90341 155.9
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