CID 85378

1,10-diiododecane

Structural Information

Molecular Formula
C10H20I2
SMILES
C(CCCCCI)CCCCI
InChI
InChI=1S/C10H20I2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2
InChIKey
CKJCTZAIDVFHCX-UHFFFAOYSA-N
Compound name
1,10-diiododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

542
Patents

393.96545 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.97273 158.1
[M+Na]+ 416.95467 149.3
[M-H]- 392.95817 146.5
[M+NH4]+ 411.99927 167.3
[M+K]+ 432.92861 159.0
[M+H-H2O]+ 376.96271 146.9
[M+HCOO]- 438.96365 168.7
[M+CH3COO]- 452.97930 207.2
[M+Na-2H]- 414.94012 144.1
[M]+ 393.96490 155.9
[M]- 393.96600 155.9
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