CID 16217726

1,4-bis(3,7-dimethyloctyl)-2,5-diiodobenzene

Structural Information

Molecular Formula
C26H44I2
SMILES
CC(C)CCCC(C)CCC1=CC(=C(C=C1I)CCC(C)CCCC(C)C)I
InChI
InChI=1S/C26H44I2/c1-19(2)9-7-11-21(5)13-15-23-17-26(28)24(18-25(23)27)16-14-22(6)12-8-10-20(3)4/h17-22H,7-16H2,1-6H3
InChIKey
LJNUMLPEKWLXIO-UHFFFAOYSA-N
Compound name
1,4-bis(3,7-dimethyloctyl)-2,5-diiodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

610.15326 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.16054 215.3
[M+Na]+ 633.14248 209.2
[M+NH4]+ 628.18708 212.7
[M+K]+ 649.11642 208.4
[M-H]- 609.14598 205.0
[M+Na-2H]- 631.12793 195.7
[M]+ 610.15271 209.6
[M]- 610.15381 209.6
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

No patent data available for this compound.