CID 111923

68957-94-8

Structural Information

Molecular Formula
C9H21O6P3
SMILES
CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC
InChI
InChI=1S/C9H21O6P3/c1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3/h4-9H2,1-3H3
InChIKey
PAQZWJGSJMLPMG-UHFFFAOYSA-N
Compound name
2,4,6-tripropyl-1,3,5,2lambda5,4lambda5,6lambda5-trioxatriphosphinane 2,4,6-trioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

27368
Patents

318.05508 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.06236 168.6
[M+Na]+ 341.04430 176.4
[M-H]- 317.04780 170.6
[M+NH4]+ 336.08890 186.5
[M+K]+ 357.01824 179.9
[M+H-H2O]+ 301.05234 158.7
[M+HCOO]- 363.05328 202.3
[M+CH3COO]- 377.06893 206.3
[M+Na-2H]- 339.02975 171.8
[M]+ 318.05453 178.4
[M]- 318.05563 178.4
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