CID 19736

Trixylenyl phosphate

Structural Information

Molecular Formula
C24H27O4P
SMILES
CC1=CC(=C(C=C1)OP(=O)(OC2=C(C=C(C=C2)C)C)OC3=C(C=C(C=C3)C)C)C
InChI
InChI=1S/C24H27O4P/c1-16-7-10-22(19(4)13-16)26-29(25,27-23-11-8-17(2)14-20(23)5)28-24-12-9-18(3)15-21(24)6/h7-15H,1-6H3
InChIKey
KOWVWXQNQNCRRS-UHFFFAOYSA-N
Compound name
tris(2,4-dimethylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

13044
Patents

410.1647 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.17198 199.9
[M+Na]+ 433.15392 215.9
[M+NH4]+ 428.19852 206.8
[M+K]+ 449.12786 207.9
[M-H]- 409.15742 205.8
[M+Na-2H]- 431.13937 209.0
[M]+ 410.16415 204.2
[M]- 410.16525 204.2
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