CID 11637908

Iodocyclododecane

Structural Information

Molecular Formula
C12H23I
SMILES
C1CCCCCC(CCCCC1)I
InChI
InChI=1S/C12H23I/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2
InChIKey
FXQHFVJEECQKAU-UHFFFAOYSA-N
Compound name
iodocyclododecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

294.08444 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09172 151.2
[M+Na]+ 317.07366 146.0
[M-H]- 293.07716 143.9
[M+NH4]+ 312.11826 162.8
[M+K]+ 333.04760 151.0
[M+H-H2O]+ 277.08170 144.5
[M+HCOO]- 339.08264 162.7
[M+CH3COO]- 353.09829 185.5
[M+Na-2H]- 315.05911 141.1
[M]+ 294.08389 137.7
[M]- 294.08499 137.7
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