CID 120090

Diphosphoric acid, dibutyl ester

Structural Information

Molecular Formula
C8H20O7P2
SMILES
CCCCOP(=O)(O)OP(=O)(O)OCCCC
InChI
InChI=1S/C8H20O7P2/c1-3-5-7-13-16(9,10)15-17(11,12)14-8-6-4-2/h3-8H2,1-2H3,(H,9,10)(H,11,12)
InChIKey
IIVCGGJCVPWXHR-UHFFFAOYSA-N
Compound name
[butoxy(hydroxy)phosphoryl] butyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

80
Patents

290.06842 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07570 164.4
[M+Na]+ 313.05764 168.8
[M+NH4]+ 308.10224 174.9
[M+K]+ 329.03158 168.2
[M-H]- 289.06114 157.5
[M+Na-2H]- 311.04309 162.2
[M]+ 290.06787 162.3
[M]- 290.06897 162.3
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