CID 406405

99133-88-7

Structural Information

Molecular Formula
C14H32O7P2
SMILES
CCCCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C14H32O7P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15,22(16,17)18)23(19,20)21/h15H,2-13H2,1H3,(H2,16,17,18)(H2,19,20,21)
InChIKey
AFHBJHZWUKBVNT-UHFFFAOYSA-N
Compound name
(1-hydroxy-1-phosphonotetradecyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5
Patents

374.16232 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.16960 179.5
[M+Na]+ 397.15154 178.5
[M-H]- 373.15504 174.2
[M+NH4]+ 392.19614 174.8
[M+K]+ 413.12548 172.6
[M+H-H2O]+ 357.15958 157.3
[M+HCOO]- 419.16052 193.3
[M+CH3COO]- 433.17617 207.2
[M+Na-2H]- 395.13699 163.6
[M]+ 374.16177 175.0
[M]- 374.16287 175.0
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