CID 92540

Hexadecyl diphenyl phosphate

Structural Information

Molecular Formula
C28H43O4P
SMILES
CCCCCCCCCCCCCCCCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C28H43O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-30-33(29,31-27-22-17-15-18-23-27)32-28-24-19-16-20-25-28/h15-20,22-25H,2-14,21,26H2,1H3
InChIKey
FEUQWJRZKZQFAO-UHFFFAOYSA-N
Compound name
hexadecyl diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

110
Patents

474.2899 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.29718 223.9
[M+Na]+ 497.27912 233.8
[M+NH4]+ 492.32372 228.7
[M+K]+ 513.25306 224.1
[M-H]- 473.28262 226.1
[M+Na-2H]- 495.26457 228.9
[M]+ 474.28935 225.8
[M]- 474.29045 225.8
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