CID 76348

4,4'-diiodobiphenyl

Structural Information

Molecular Formula
C12H8I2
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)I)I
InChI
InChI=1S/C12H8I2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
InChIKey
GPYDMVZCPRONLW-UHFFFAOYSA-N
Compound name
1-iodo-4-(4-iodophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

2416
Patents

405.87155 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.87883 155.5
[M+Na]+ 428.86077 149.3
[M-H]- 404.86427 149.0
[M+NH4]+ 423.90537 163.8
[M+K]+ 444.83471 157.4
[M+H-H2O]+ 388.86881 142.7
[M+HCOO]- 450.86975 167.7
[M+CH3COO]- 464.88540 206.2
[M+Na-2H]- 426.84622 144.0
[M]+ 405.87100 149.7
[M]- 405.87210 149.7
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