CID 5127595

2,2'-diiodo-4,4',5,5'-tetramethoxybiphenyl

Structural Information

Molecular Formula
C16H16I2O4
SMILES
COC1=C(C=C(C(=C1)C2=CC(=C(C=C2I)OC)OC)I)OC
InChI
InChI=1S/C16H16I2O4/c1-19-13-5-9(11(17)7-15(13)21-3)10-6-14(20-2)16(22-4)8-12(10)18/h5-8H,1-4H3
InChIKey
RQLWTXPDCAJYGM-UHFFFAOYSA-N
Compound name
1-iodo-2-(2-iodo-4,5-dimethoxyphenyl)-4,5-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

525.9138 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.92108 187.2
[M+Na]+ 548.90302 181.8
[M-H]- 524.90652 181.4
[M+NH4]+ 543.94762 192.2
[M+K]+ 564.87696 191.4
[M+H-H2O]+ 508.91106 173.3
[M+HCOO]- 570.91200 198.5
[M+CH3COO]- 584.92765 225.7
[M+Na-2H]- 546.88847 171.2
[M]+ 525.91325 188.1
[M]- 525.91435 188.1
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