CID 4060847

1,11-diiodoundecane

Structural Information

Molecular Formula
C11H22I2
SMILES
C(CCCCCI)CCCCCI
InChI
InChI=1S/C11H22I2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-11H2
InChIKey
WLXPSODYNNSNEQ-UHFFFAOYSA-N
Compound name
1,11-diiodoundecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

407.9811 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.98838 162.7
[M+Na]+ 430.97032 153.5
[M-H]- 406.97382 150.9
[M+NH4]+ 426.01492 171.4
[M+K]+ 446.94426 163.0
[M+H-H2O]+ 390.97836 151.3
[M+HCOO]- 452.97930 173.0
[M+CH3COO]- 466.99495 209.6
[M+Na-2H]- 428.95577 148.1
[M]+ 407.98055 160.8
[M]- 407.98165 160.8
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