CID 136772

Hexamethoxyphosphazene

Structural Information

Molecular Formula
C6H18N3O6P3
SMILES
COP1(=NP(=NP(=N1)(OC)OC)(OC)OC)OC
InChI
InChI=1S/C6H18N3O6P3/c1-10-16(11-2)7-17(12-3,13-4)9-18(8-16,14-5)15-6/h1-6H3
InChIKey
CNQBXJDCTHCEFG-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6-hexamethoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

594
Patents

321.04083 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.04811 154.5
[M+Na]+ 344.03005 164.1
[M-H]- 320.03355 152.2
[M+NH4]+ 339.07465 172.2
[M+K]+ 360.00399 167.7
[M+H-H2O]+ 304.03809 141.8
[M+HCOO]- 366.03903 191.7
[M+CH3COO]- 380.05468 206.5
[M+Na-2H]- 342.01550 159.4
[M]+ 321.04028 168.4
[M]- 321.04138 168.4
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