CID 74359

Tribenzyl phosphate

Structural Information

Molecular Formula
C21H21O4P
SMILES
C1=CC=C(C=C1)COP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C21H21O4P/c22-26(23-16-19-10-4-1-5-11-19,24-17-20-12-6-2-7-13-20)25-18-21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKey
OACSUWPJZKGHHK-UHFFFAOYSA-N
Compound name
tribenzyl phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1412
Patents

368.11774 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.125016 189.3
[M+Na]+ 391.106958 193.4
[M-H]- 367.110464 196.6
[M+NH4]+ 386.151563 200.5
[M+K]+ 407.080898 189.7
[M+H-H2O]+ 351.115000 176.6
[M+HCOO]- 413.115941 216.5
[M+CH3COO]- 427.131591 213.7
[M+Na-2H]- 389.092406 192.3
[M]+ 368.11719142 192.8
[M]- 368.11828858 192.8
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