CID 81498

2,4,6,8-tetrakis(chloromethyl)-1,3,5,7-tetroxocane

Structural Information

Molecular Formula
C8H12Cl4O4
SMILES
C(C1OC(OC(OC(O1)CCl)CCl)CCl)Cl
InChI
InChI=1S/C8H12Cl4O4/c9-1-5-13-6(2-10)15-8(4-12)16-7(3-11)14-5/h5-8H,1-4H2
InChIKey
FGSYJTSGMGQEGO-UHFFFAOYSA-N
Compound name
2,4,6,8-tetrakis(chloromethyl)-1,3,5,7-tetraoxocane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.94897 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.95625 165.4
[M+Na]+ 334.93819 170.0
[M-H]- 310.94169 166.5
[M+NH4]+ 329.98279 170.2
[M+K]+ 350.91213 170.6
[M+H-H2O]+ 294.94623 162.9
[M+HCOO]- 356.94717 163.8
[M+CH3COO]- 370.96282 230.1
[M+Na-2H]- 332.92364 164.1
[M]+ 311.94842 166.9
[M]- 311.94952 166.9
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.