CID 90557

1,9-diiodononane

Structural Information

Molecular Formula
C9H18I2
SMILES
C(CCCCI)CCCCI
InChI
InChI=1S/C9H18I2/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2
InChIKey
QVXLFUVDXDMDFE-UHFFFAOYSA-N
Compound name
1,9-diiodononane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

135
Patents

379.9498 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.95708 153.5
[M+Na]+ 402.93902 145.0
[M-H]- 378.94252 142.1
[M+NH4]+ 397.98362 163.2
[M+K]+ 418.91296 155.0
[M+H-H2O]+ 362.94706 142.5
[M+HCOO]- 424.94800 164.4
[M+CH3COO]- 438.96365 204.9
[M+Na-2H]- 400.92447 140.0
[M]+ 379.94925 151.1
[M]- 379.95035 151.1
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