CID 10930538

Tris(4-nonylphenyl) phosphate

Structural Information

Molecular Formula
C45H69O4P
SMILES
CCCCCCCCCC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)CCCCCCCCC)OC3=CC=C(C=C3)CCCCCCCCC
InChI
InChI=1S/C45H69O4P/c1-4-7-10-13-16-19-22-25-40-28-34-43(35-29-40)47-50(46,48-44-36-30-41(31-37-44)26-23-20-17-14-11-8-5-2)49-45-38-32-42(33-39-45)27-24-21-18-15-12-9-6-3/h28-39H,4-27H2,1-3H3
InChIKey
JXJBUSBMIXMILT-UHFFFAOYSA-N
Compound name
tris(4-nonylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2360
Patents

704.49335 Da
Monoisotopic Mass

17.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 705.50063 296.0
[M+Na]+ 727.48257 291.5
[M-H]- 703.48607 299.0
[M+NH4]+ 722.52717 293.6
[M+K]+ 743.45651 283.3
[M+H-H2O]+ 687.49061 278.4
[M+HCOO]- 749.49155 314.2
[M+CH3COO]- 763.50720 285.2
[M+Na-2H]- 725.46802 284.4
[M]+ 704.49280 308.1
[M]- 704.49390 308.1
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