CID 73555772

2-(octan-2-yl)phenyl diphenyl phosphate

Structural Information

Molecular Formula
C26H31O4P
SMILES
CCCCCCC(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C26H31O4P/c1-3-4-5-8-15-22(2)25-20-13-14-21-26(25)30-31(27,28-23-16-9-6-10-17-23)29-24-18-11-7-12-19-24/h6-7,9-14,16-22H,3-5,8,15H2,1-2H3
InChIKey
LCFUWZAHJMUCIG-UHFFFAOYSA-N
Compound name
(2-octan-2-ylphenyl) diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.19598 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.20326 212.3
[M+Na]+ 461.18520 214.6
[M-H]- 437.18870 219.1
[M+NH4]+ 456.22980 220.8
[M+K]+ 477.15914 210.6
[M+H-H2O]+ 421.19324 198.8
[M+HCOO]- 483.19418 236.7
[M+CH3COO]- 497.20983 230.2
[M+Na-2H]- 459.17065 210.9
[M]+ 438.19543 217.3
[M]- 438.19653 217.3
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.