CID 6529

78-32-0

Structural Information

Molecular Formula

C₂₁H₂₁O₄P

SMILES

CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C

InChI

InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3

InChIKey

BOSMZFBHAYFUBJ-UHFFFAOYSA-N

Compound name

tris(4-methylphenyl) phosphate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 507
References: 75998
Patents: 368.11774 Da
Monoisotopic Mass: 5.1
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]+	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

Literature stripe

literature stripe

Patent stripe

patents stripe