CID 77467

3862-08-6

Structural Information

Molecular Formula
C24H27O4P
SMILES
CCC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2CC)OC3=CC=CC=C3CC
InChI
InChI=1S/C24H27O4P/c1-4-19-13-7-10-16-22(19)26-29(25,27-23-17-11-8-14-20(23)5-2)28-24-18-12-9-15-21(24)6-3/h7-18H,4-6H2,1-3H3
InChIKey
DTOOHWOPSUKNJL-UHFFFAOYSA-N
Compound name
tris(2-ethylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
Patents

410.1647 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.17198 200.5
[M+Na]+ 433.15392 215.3
[M+NH4]+ 428.19852 207.3
[M+K]+ 449.12786 206.7
[M-H]- 409.15742 206.1
[M+Na-2H]- 431.13937 210.2
[M]+ 410.16415 204.4
[M]- 410.16525 204.4
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