CID 44119860

105809-15-2

Structural Information

Molecular Formula
C6H18N3P3
SMILES
[2H]CP1(=NP(=NP(=N1)(C[2H])C[2H])(C[2H])C[2H])C[2H]
InChI
InChI=1S/C6H18N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3/i1D,2D,3D,4D,5D,6D
InChIKey
DEBZEVJNWCNATM-MZWXYZOWSA-N
Compound name
2,2,4,4,6,6-hexakis(deuteriomethyl)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

386
Patents

231.10902 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11630 154.0
[M+Na]+ 254.09824 161.8
[M-H]- 230.10174 149.8
[M+NH4]+ 249.14284 174.6
[M+K]+ 270.07218 160.9
[M+H-H2O]+ 214.10628 138.8
[M+HCOO]- 276.10722 190.7
[M+CH3COO]- 290.12287 196.0
[M+Na-2H]- 252.08369 156.4
[M]+ 231.10847 161.1
[M]- 231.10957 161.1
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