CID 75143

Dihexadecyl hydrogen phosphate

Structural Information

Molecular Formula
C32H67O4P
SMILES
CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCC
InChI
InChI=1S/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,33,34)
InChIKey
RNPXCFINMKSQPQ-UHFFFAOYSA-N
Compound name
dihexadecyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

248
References

23096
Patents

546.4777 Da
Monoisotopic Mass

14.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.48498 246.1
[M+Na]+ 569.46692 247.4
[M+NH4]+ 564.51152 246.5
[M+K]+ 585.44086 245.7
[M-H]- 545.47042 228.6
[M+Na-2H]- 567.45237 245.1
[M]+ 546.47715 241.5
[M]- 546.47825 241.5
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