CID 44146574

194497-74-0

Structural Information

Molecular Formula
C63H105O4P
SMILES
CCCCCCCCCCCCCCCC1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)CCCCCCCCCCCCCCC)OC3=CC=CC(=C3)CCCCCCCCCCCCCCC
InChI
InChI=1S/C63H105O4P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46-58-49-43-52-61(55-58)65-68(64,66-62-53-44-50-59(56-62)47-41-38-35-32-29-26-23-20-17-14-11-8-5-2)67-63-54-45-51-60(57-63)48-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h43-45,49-57H,4-42,46-48H2,1-3H3
InChIKey
OMJBHYUBFBQYCU-UHFFFAOYSA-N
Compound name
tris(3-pentadecylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

956.775 Da
Monoisotopic Mass

28.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 957.78228 288.2
[M+Na]+ 979.76422 293.5
[M-H]- 955.76772 265.5
[M+NH4]+ 974.80882 290.0
[M+K]+ 995.73816 295.3
[M+H-H2O]+ 939.77226 282.0
[M+HCOO]- 1001.7732 307.0
[M+CH3COO]- 1015.7889 331.3
[M+Na-2H]- 977.74967 266.3
[M]+ 956.77445 288.9
[M]- 956.77555 288.9
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.