CID 69630

Tridodecyl phosphate

Structural Information

Molecular Formula
C36H75O4P
SMILES
CCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCC)OCCCCCCCCCCCC
InChI
InChI=1S/C36H75O4P/c1-4-7-10-13-16-19-22-25-28-31-34-38-41(37,39-35-32-29-26-23-20-17-14-11-8-5-2)40-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
InChIKey
OHRVKCZTBPSUIK-UHFFFAOYSA-N
Compound name
tridodecyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9351
Patents

602.5403 Da
Monoisotopic Mass

16.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.54758 260.6
[M+Na]+ 625.52952 262.9
[M-H]- 601.53302 241.8
[M+NH4]+ 620.57412 260.6
[M+K]+ 641.50346 264.4
[M+H-H2O]+ 585.53756 251.2
[M+HCOO]- 647.53850 271.3
[M+CH3COO]- 661.55415 269.5
[M+Na-2H]- 623.51497 240.4
[M]+ 602.53975 259.8
[M]- 602.54085 259.8
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