CID 11746426

Dipropyldiphosphonic acid

Structural Information

Molecular Formula
C6H16O5P2
SMILES
CCCP(=O)(O)OP(=O)(CCC)O
InChI
InChI=1S/C6H16O5P2/c1-3-5-12(7,8)11-13(9,10)6-4-2/h3-6H2,1-2H3,(H,7,8)(H,9,10)
InChIKey
MNGBGMIBJMKFMJ-UHFFFAOYSA-N
Compound name
[hydroxy(propyl)phosphoryl]oxy-propylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

16533
Patents

230.0473 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05458 156.5
[M+Na]+ 253.03652 163.0
[M-H]- 229.04002 151.8
[M+NH4]+ 248.08112 174.2
[M+K]+ 269.01046 162.5
[M+H-H2O]+ 213.04456 148.1
[M+HCOO]- 275.04550 185.7
[M+CH3COO]- 289.06115 185.4
[M+Na-2H]- 251.02197 158.4
[M]+ 230.04675 161.8
[M]- 230.04785 161.8
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