CID 6527

Tri-o-tolyl phosphate

Structural Information

Molecular Formula
C21H21O4P
SMILES
CC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2C)OC3=CC=CC=C3C
InChI
InChI=1S/C21H21O4P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3
InChIKey
YSMRWXYRXBRSND-UHFFFAOYSA-N
Compound name
tris(2-methylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

361
References

79216
Patents

368.11774 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.125016 188.8
[M+Na]+ 391.106958 195.6
[M-H]- 367.110464 197.4
[M+NH4]+ 386.151563 201.0
[M+K]+ 407.080898 192.3
[M+H-H2O]+ 351.115000 176.6
[M+HCOO]- 413.115941 216.1
[M+CH3COO]- 427.131591 217.2
[M+Na-2H]- 389.092406 189.9
[M]+ 368.11719142 193.7
[M]- 368.11828858 193.7
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