CID 73707

Pentaerythrityl tetraiodide

Structural Information

Molecular Formula
C5H8I4
SMILES
C(C(CI)(CI)CI)I
InChI
InChI=1S/C5H8I4/c6-1-5(2-7,3-8)4-9/h1-4H2
InChIKey
HPMGSGCDKVCZHC-UHFFFAOYSA-N
Compound name
1,3-diiodo-2,2-bis(iodomethyl)propane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

575.6805 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.68778 150.4
[M+Na]+ 598.66972 136.3
[M-H]- 574.67322 141.8
[M+NH4]+ 593.71432 151.4
[M+K]+ 614.64366 151.3
[M+H-H2O]+ 558.67776 141.0
[M+HCOO]- 620.67870 151.4
[M+CH3COO]- 634.69435 231.6
[M+Na-2H]- 596.65517 136.0
[M]+ 575.67995 145.4
[M]- 575.68105 145.4
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

patents stripe