CID 16448063

Akos000271203

Structural Information

Molecular Formula
Cl8H4N4P4
SMILES
N1[P+](N[P+](N[P+](N[P+]1(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl
InChI
InChI=1S/Cl8H4N4P4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h9-12H/q+4
InChIKey
PBMSMCIIEVFSGH-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6,8,8-octachloro-1,3,5,7,2,4,6,8-tetrazatetraphosphocane-2,4,6,8-tetraium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.68945 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.696726 152.4
[M+Na]+ 486.678668 153.5
[M-H]- 462.682174 146.4
[M+NH4]+ 481.723273 154.6
[M+K]+ 502.652608 149.3
[M+H-H2O]+ 446.686710 152.0
[M+HCOO]- 508.687651 148.0
[M+CH3COO]- 522.703301 233.7
[M+Na-2H]- 484.664116 151.6
[M]+ 463.68890142 144.6
[M]- 463.68999858 144.6
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.