CID 93438

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

Structural Information

Molecular Formula

C₂₆H₃₁O₄P

SMILES

CC1=C(C(=CC=C1)C)OP(=O)(OC2=C(C=C(C=C2C)C)C)OC3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C26H31O4P/c1-16-12-20(5)25(21(6)13-16)29-31(27,28-24-18(3)10-9-11-19(24)4)30-26-22(7)14-17(2)15-23(26)8/h9-15H,1-8H3

InChIKey

RXFNJSYEKXOEDI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 438.19598 Da
Monoisotopic Mass: 7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	439.203256	209.1
[M+Na]+	461.185198	218.1
[M-H]-	437.188704	218.8
[M+NH4]+	456.229803	220.0
[M+K]+	477.159138	214.5
[M+H-H2O]+	421.193240	197.0
[M+HCOO]-	483.194181	234.6
[M+CH3COO]-	497.209831	238.2
[M+Na-2H]-	459.170646	204.7
[M]+	438.19543142	218.0
[M]-	438.19652858	218.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.