CID 3704309

2,2'-diiodo-3,3'-dimethyl-4,4',5,5'-tetramethoxybiphenyl

Structural Information

Molecular Formula
C18H20I2O4
SMILES
CC1=C(C(=CC(=C1OC)OC)C2=CC(=C(C(=C2I)C)OC)OC)I
InChI
InChI=1S/C18H20I2O4/c1-9-15(19)11(7-13(21-3)17(9)23-5)12-8-14(22-4)18(24-6)10(2)16(12)20/h7-8H,1-6H3
InChIKey
JZGBJBNOMRVOLR-UHFFFAOYSA-N
Compound name
2-iodo-1-(2-iodo-4,5-dimethoxy-3-methylphenyl)-4,5-dimethoxy-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

553.9451 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.95238 191.6
[M+Na]+ 576.93432 186.9
[M-H]- 552.93782 186.2
[M+NH4]+ 571.97892 196.2
[M+K]+ 592.90826 196.4
[M+H-H2O]+ 536.94236 177.9
[M+HCOO]- 598.94330 202.4
[M+CH3COO]- 612.95895 232.4
[M+Na-2H]- 574.91977 174.0
[M]+ 553.94455 193.7
[M]- 553.94565 193.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe