CID 12373

1,6-diiodohexane

Structural Information

Molecular Formula
C6H12I2
SMILES
C(CCCI)CCI
InChI
InChI=1S/C6H12I2/c7-5-3-1-2-4-6-8/h1-6H2
InChIKey
QLIMAARBRDAYGQ-UHFFFAOYSA-N
Compound name
1,6-diiodohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1779
Patents

337.90286 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.91014 139.7
[M+Na]+ 360.89208 132.2
[M-H]- 336.89558 128.7
[M+NH4]+ 355.93668 150.7
[M+K]+ 376.86602 142.9
[M+H-H2O]+ 320.90012 129.3
[M+HCOO]- 382.90106 151.4
[M+CH3COO]- 396.91671 197.8
[M+Na-2H]- 358.87753 127.7
[M]+ 337.90231 136.4
[M]- 337.90341 136.4
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