CID 77132

Diphosphoric acid, tetrapropyl ester

Structural Information

Molecular Formula
C12H28O7P2
SMILES
CCCOP(=O)(OCCC)OP(=O)(OCCC)OCCC
InChI
InChI=1S/C12H28O7P2/c1-5-9-15-20(13,16-10-6-2)19-21(14,17-11-7-3)18-12-8-4/h5-12H2,1-4H3
InChIKey
RQPZOYFXHWCRGB-UHFFFAOYSA-N
Compound name
dipropoxyphosphoryl dipropyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

346.131 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13828 185.6
[M+Na]+ 369.12022 190.3
[M-H]- 345.12372 180.7
[M+NH4]+ 364.16482 190.9
[M+K]+ 385.09416 181.9
[M+H-H2O]+ 329.12826 175.3
[M+HCOO]- 391.12920 207.6
[M+CH3COO]- 405.14485 212.6
[M+Na-2H]- 367.10567 173.4
[M]+ 346.13045 186.0
[M]- 346.13155 186.0
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