CID 406406

2809-24-7

Structural Information

Molecular Formula
C16H36O7P2
SMILES
CCCCCCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C16H36O7P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17,24(18,19)20)25(21,22)23/h17H,2-15H2,1H3,(H2,18,19,20)(H2,21,22,23)
InChIKey
CRTLLTFVYOUDFN-UHFFFAOYSA-N
Compound name
(1-hydroxy-1-phosphonohexadecyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

15
Patents

402.19363 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.20091 186.8
[M+Na]+ 425.18285 185.4
[M-H]- 401.18635 180.7
[M+NH4]+ 420.22745 182.0
[M+K]+ 441.15679 180.3
[M+H-H2O]+ 385.19089 164.3
[M+HCOO]- 447.19183 199.8
[M+CH3COO]- 461.20748 213.1
[M+Na-2H]- 423.16830 170.0
[M]+ 402.19308 182.2
[M]- 402.19418 182.2
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

No patent data available for this compound.