CID 12960

Hexaethyl tetraphosphate

Structural Information

Molecular Formula
C12H30O13P4
SMILES
CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC
InChI
InChI=1S/C12H30O13P4/c1-7-17-26(13,18-8-2)23-28(15,21-11-5)25-29(16,22-12-6)24-27(14,19-9-3)20-10-4/h7-12H2,1-6H3
InChIKey
DAJYZXUXDOSMCG-UHFFFAOYSA-N
Compound name
diethoxyphosphoryl [diethoxyphosphoryloxy(ethoxy)phosphoryl] ethyl phosphate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

2
References

117
Patents

506.0637 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.07098 238.3
[M+Na]+ 529.05292 238.5
[M-H]- 505.05642 241.5
[M+NH4]+ 524.09752 251.2
[M+K]+ 545.02686 230.3
[M+H-H2O]+ 489.06096 208.0
[M+HCOO]- 551.06190 261.0
[M+CH3COO]- 565.07755 238.2
[M+Na-2H]- 527.03837 217.8
[M]+ 506.06315 242.5
[M]- 506.06425 242.5
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