CID 22323609

4,4'-diiodo-3,3'-dimethylbiphenyl

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
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