CID 13085474

1,1-diiodocyclohexane

Structural Information

Molecular Formula
C6H10I2
SMILES
C1CCC(CC1)(I)I
InChI
InChI=1S/C6H10I2/c7-6(8)4-2-1-3-5-6/h1-5H2
InChIKey
WGHQKZMDBJXWBN-UHFFFAOYSA-N
Compound name
1,1-diiodocyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

335.8872 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.89448 133.9
[M+Na]+ 358.87642 125.7
[M-H]- 334.87992 125.0
[M+NH4]+ 353.92102 146.1
[M+K]+ 374.85036 136.5
[M+H-H2O]+ 318.88446 123.5
[M+HCOO]- 380.88540 143.6
[M+CH3COO]- 394.90105 194.3
[M+Na-2H]- 356.86187 123.0
[M]+ 335.88665 125.3
[M]- 335.88775 125.3
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