CID 93431

Diphenyl 2,4,6-trimethylphenyl phosphate

Structural Information

Molecular Formula
C21H21O4P
SMILES
CC1=CC(=C(C(=C1)C)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C
InChI
InChI=1S/C21H21O4P/c1-16-14-17(2)21(18(3)15-16)25-26(22,23-19-10-6-4-7-11-19)24-20-12-8-5-9-13-20/h4-15H,1-3H3
InChIKey
TZNDMQPVWYWNFW-UHFFFAOYSA-N
Compound name
diphenyl (2,4,6-trimethylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

368.11774 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.12502 187.0
[M+Na]+ 391.10696 202.5
[M+NH4]+ 386.15156 194.4
[M+K]+ 407.08090 194.6
[M-H]- 367.11046 192.7
[M+Na-2H]- 389.09241 197.5
[M]+ 368.11719 191.0
[M]- 368.11829 191.0
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

patents stripe