CID 93426

Di(2,6-dimethylphenyl) 2,4,6-trimethylphenyl phosphate

Structural Information

Molecular Formula
C25H29O4P
SMILES
CC1=C(C(=CC=C1)C)OP(=O)(OC2=C(C=CC=C2C)C)OC3=C(C=C(C=C3C)C)C
InChI
InChI=1S/C25H29O4P/c1-16-14-21(6)25(22(7)15-16)29-30(26,27-23-17(2)10-8-11-18(23)3)28-24-19(4)12-9-13-20(24)5/h8-15H,1-7H3
InChIKey
NUKOOAMABQWBHG-UHFFFAOYSA-N
Compound name
bis(2,6-dimethylphenyl) (2,4,6-trimethylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.18036 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.18764 205.3
[M+Na]+ 447.16958 213.8
[M-H]- 423.17308 214.8
[M+NH4]+ 442.21418 216.4
[M+K]+ 463.14352 210.3
[M+H-H2O]+ 407.17762 193.1
[M+HCOO]- 469.17856 231.1
[M+CH3COO]- 483.19421 234.0
[M+Na-2H]- 445.15503 201.9
[M]+ 424.17981 213.4
[M]- 424.18091 213.4
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.