CID 90605

1,8-diiodooctane

Structural Information

Molecular Formula
C8H16I2
SMILES
C(CCCCI)CCCI
InChI
InChI=1S/C8H16I2/c9-7-5-3-1-2-4-6-8-10/h1-8H2
InChIKey
KZDTZHQLABJVLE-UHFFFAOYSA-N
Compound name
1,8-diiodooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

3978
Patents

365.93414 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.94142 148.9
[M+Na]+ 388.92336 140.8
[M-H]- 364.92686 137.6
[M+NH4]+ 383.96796 159.0
[M+K]+ 404.89730 151.0
[M+H-H2O]+ 348.93140 138.1
[M+HCOO]- 410.93234 160.1
[M+CH3COO]- 424.94799 202.5
[M+Na-2H]- 386.90881 135.9
[M]+ 365.93359 146.2
[M]- 365.93469 146.2
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