CID 57857501

2-iodo-2',4',6'-triisopropyl-3,6-dimethoxybiphenyl

Structural Information

Molecular Formula
C23H31IO2
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2I)OC)OC)C(C)C
InChI
InChI=1S/C23H31IO2/c1-13(2)16-11-17(14(3)4)21(18(12-16)15(5)6)22-19(25-7)9-10-20(26-8)23(22)24/h9-15H,1-8H3
InChIKey
LOUYGKSUFMSHGM-UHFFFAOYSA-N
Compound name
2-iodo-1,4-dimethoxy-3-[2,4,6-tri(propan-2-yl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

466.13687 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.14415 197.3
[M+Na]+ 489.12609 197.0
[M-H]- 465.12959 196.8
[M+NH4]+ 484.17069 206.2
[M+K]+ 505.10003 199.9
[M+H-H2O]+ 449.13413 185.8
[M+HCOO]- 511.13507 210.6
[M+CH3COO]- 525.15072 231.3
[M+Na-2H]- 487.11154 180.9
[M]+ 466.13632 199.9
[M]- 466.13742 199.9
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