CID 405394

Chembl298852

Structural Information

Molecular Formula
C11H26O7P2
SMILES
CCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C11H26O7P2/c1-2-3-4-5-6-7-8-9-10-11(12,19(13,14)15)20(16,17)18/h12H,2-10H2,1H3,(H2,13,14,15)(H2,16,17,18)
InChIKey
SXBDBOGSDLDYIY-UHFFFAOYSA-N
Compound name
(1-hydroxy-1-phosphonoundecyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

11
Patents

332.1154 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12268 168.4
[M+Na]+ 355.10462 168.0
[M-H]- 331.10812 164.3
[M+NH4]+ 350.14922 163.9
[M+K]+ 371.07856 160.9
[M+H-H2O]+ 315.11266 179.2
[M+HCOO]- 377.11360 183.5
[M+CH3COO]- 391.12925 198.3
[M+Na-2H]- 353.09007 188.3
[M]+ 332.11485 164.2
[M]- 332.11595 164.2
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