CID 76285

2.lambda.5,4.lambda.5,6.lambda.5,8.lambda.5-1,3,5,7,2,4,6,8-tetrazatetraphosphocine, 2,2,4,4,6,6,8,8-octachloro-

Structural Information

Molecular Formula
Cl8N4P4
SMILES
N1=P(N=P(N=P(N=P1(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl
InChI
InChI=1S/Cl8N4P4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13
InChIKey
PEJQKHLWXHKKGS-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6,8,8-octachloro-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1684
Patents

459.65817 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.66545 163.0
[M+Na]+ 482.64739 167.3
[M-H]- 458.65089 158.7
[M+NH4]+ 477.69199 167.0
[M+K]+ 498.62133 167.7
[M+H-H2O]+ 442.65543 157.8
[M+HCOO]- 504.65637 161.4
[M+CH3COO]- 518.67202 241.9
[M+Na-2H]- 480.63284 158.6
[M]+ 459.65762 159.4
[M]- 459.65872 159.4
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