CID 29402

Tris(2,5-xylyl) phosphate

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

0
References

7
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 201.4
[M+Na]+ 433.15392 209.5
[M-H]- 409.15742 210.6
[M+NH4]+ 428.19852 212.8
[M+K]+ 449.12786 206.0
[M+H-H2O]+ 393.16196 189.2
[M+HCOO]- 455.16290 227.5
[M+CH3COO]- 469.17855 229.8
[M+Na-2H]- 431.13937 199.1
[M]+ 410.16415 208.6
[M]- 410.16525 208.6
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