CID 77441

Tris(4-ethylphenyl) phosphate

Structural Information

Molecular Formula
C24H27O4P
SMILES
CCC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)CC)OC3=CC=C(C=C3)CC
InChI
InChI=1S/C24H27O4P/c1-4-19-7-13-22(14-8-19)26-29(25,27-23-15-9-20(5-2)10-16-23)28-24-17-11-21(6-3)12-18-24/h7-18H,4-6H2,1-3H3
InChIKey
BMPBPTNLNBRGOT-UHFFFAOYSA-N
Compound name
tris(4-ethylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

293
Patents

410.1647 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.171976 203.0
[M+Na]+ 433.153918 208.4
[M-H]- 409.157424 210.9
[M+NH4]+ 428.198523 213.4
[M+K]+ 449.127858 204.4
[M+H-H2O]+ 393.161960 190.1
[M+HCOO]- 455.162901 229.1
[M+CH3COO]- 469.178551 226.0
[M+Na-2H]- 431.139366 202.4
[M]+ 410.16415142 208.8
[M]- 410.16524858 208.8
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