CID 243608

(2r,3r)-2,3-bis(iodomethyl)-1,4-dioxane

Structural Information

Molecular Formula
C6H10I2O2
SMILES
C1CO[C@H]([C@@H](O1)CI)CI
InChI
InChI=1S/C6H10I2O2/c7-3-5-6(4-8)10-2-1-9-5/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKey
VPRQQKITYSDVEH-WDSKDSINSA-N
Compound name
(2R,3R)-2,3-bis(iodomethyl)-1,4-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.877 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.88428 148.0
[M+Na]+ 390.86622 139.8
[M-H]- 366.86972 140.0
[M+NH4]+ 385.91082 155.6
[M+K]+ 406.84016 152.4
[M+H-H2O]+ 350.87426 136.6
[M+HCOO]- 412.87520 156.3
[M+CH3COO]- 426.89085 198.7
[M+Na-2H]- 388.85167 136.5
[M]+ 367.87645 142.5
[M]- 367.87755 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.