CID 44153325

Triphosphoric acid, 2-butoxyethyl ester, potassium salt

Structural Information

Molecular Formula
C6H17O11P3
SMILES
CCCCOCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C6H17O11P3/c1-2-3-4-14-5-6-15-19(10,11)17-20(12,13)16-18(7,8)9/h2-6H2,1H3,(H,10,11)(H,12,13)(H2,7,8,9)
InChIKey
XXXFGDQRMIXVNV-UHFFFAOYSA-N
Compound name
[2-butoxyethoxy(hydroxy)phosphoryl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

357.99838 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.00566 166.0
[M+Na]+ 380.98760 173.5
[M+NH4]+ 376.03220 180.3
[M+K]+ 396.96154 183.5
[M-H]- 356.99110 171.2
[M+Na-2H]- 378.97305 168.9
[M]+ 357.99783 169.8
[M]- 357.99893 169.8
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