CID 5276503

Bph-252

Structural Information

Molecular Formula
C10H24O7P2
SMILES
CCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C10H24O7P2/c1-2-3-4-5-6-7-8-9-10(11,18(12,13)14)19(15,16)17/h11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)
InChIKey
NSCPCMXKWUFFNL-UHFFFAOYSA-N
Compound name
(1-hydroxy-1-phosphonodecyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

23
Patents

318.09973 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10701 183.5
[M+Na]+ 341.08895 164.4
[M-H]- 317.09245 161.0
[M+NH4]+ 336.13355 160.2
[M+K]+ 357.06289 184.6
[M+H-H2O]+ 301.09699 174.8
[M+HCOO]- 363.09793 180.2
[M+CH3COO]- 377.11358 195.3
[M+Na-2H]- 339.07440 184.1
[M]+ 318.09918 160.5
[M]- 318.10028 160.5
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