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

7
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 180.3
[M+Na]+ 380.98760 179.3
[M-H]- 356.99110 180.7
[M+NH4]+ 376.03220 181.6
[M+K]+ 396.96154 168.7
[M+H-H2O]+ 340.99564 154.1
[M+HCOO]- 402.99658 199.1
[M+CH3COO]- 417.01223 201.5
[M+Na-2H]- 378.97305 164.0
[M]+ 357.99783 177.2
[M]- 357.99893 177.2
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