CID 125079

Sodium bis(2-hydroxyhexadecyl) phosphate

Structural Information

Molecular Formula
C32H67O6P
SMILES
CCCCCCCCCCCCCCC(COP(=O)(O)OCC(CCCCCCCCCCCCCC)O)O
InChI
InChI=1S/C32H67O6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(33)29-37-39(35,36)38-30-32(34)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34H,3-30H2,1-2H3,(H,35,36)
InChIKey
XDMARPMWIHTFGV-UHFFFAOYSA-N
Compound name
bis(2-hydroxyhexadecyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

302
Patents

578.4675 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.47478 247.5
[M+Na]+ 601.45672 247.5
[M-H]- 577.46022 233.5
[M+NH4]+ 596.50132 245.4
[M+K]+ 617.43066 248.3
[M+H-H2O]+ 561.46476 236.4
[M+HCOO]- 623.46570 249.9
[M+CH3COO]- 637.48135 255.7
[M+Na-2H]- 599.44217 227.3
[M]+ 578.46695 243.7
[M]- 578.46805 243.7
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.