CID 47417

Nonylphenyl diphenyl phosphate

Structural Information

Molecular Formula
C27H33O4P
SMILES
CCCCCCCCCC1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C27H33O4P/c1-2-3-4-5-6-7-10-15-24-20-22-27(23-21-24)31-32(28,29-25-16-11-8-12-17-25)30-26-18-13-9-14-19-26/h8-9,11-14,16-23H,2-7,10,15H2,1H3
InChIKey
LMCLPMXCYFSRNG-UHFFFAOYSA-N
Compound name
(4-nonylphenyl) diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

115
Patents

452.21164 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.21892 214.5
[M+Na]+ 475.20086 227.9
[M+NH4]+ 470.24546 220.7
[M+K]+ 491.17480 218.1
[M-H]- 451.20436 219.8
[M+Na-2H]- 473.18631 223.7
[M]+ 452.21109 218.0
[M]- 452.21219 218.0
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

patents stripe