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

16
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

literature stripe

Patent stripe

patents stripe