CID 76433

Distearyl phosphate

Structural Information

Molecular Formula
C36H75O4P
SMILES
CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C36H75O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,37,38)
InChIKey
FRXGWNKDEMTFPL-UHFFFAOYSA-N
Compound name
dioctadecyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4997
Patents

602.5403 Da
Monoisotopic Mass

16.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.54758 259.3
[M+Na]+ 625.52952 260.5
[M-H]- 601.53302 240.1
[M+NH4]+ 620.57412 256.9
[M+K]+ 641.50346 262.1
[M+H-H2O]+ 585.53756 248.6
[M+HCOO]- 647.53850 268.2
[M+CH3COO]- 661.55415 267.0
[M+Na-2H]- 623.51497 238.3
[M]+ 602.53975 257.1
[M]- 602.54085 257.1
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