CID 170452686

Phosphoric acid (2-methylphenyl)(3-methylphenyl)(4-methylphenyl) ester

Structural Information

Molecular Formula
C21H21O4P
SMILES
CC1=CC(=CC=C1)C2=C(C=CC(=C2C3=CC=CC=C3C)C)OP(=O)(O)O
InChI
InChI=1S/C21H21O4P/c1-14-7-6-9-17(13-14)21-19(25-26(22,23)24)12-11-16(3)20(21)18-10-5-4-8-15(18)2/h4-13H,1-3H3,(H2,22,23,24)
InChIKey
XJALTFABPXOQGX-UHFFFAOYSA-N
Compound name
[4-methyl-3-(2-methylphenyl)-2-(3-methylphenyl)phenyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.11774 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.12502 189.0
[M+Na]+ 391.10696 196.7
[M-H]- 367.11046 195.8
[M+NH4]+ 386.15156 200.5
[M+K]+ 407.08090 192.1
[M+H-H2O]+ 351.11500 178.0
[M+HCOO]- 413.11594 213.3
[M+CH3COO]- 427.13159 215.1
[M+Na-2H]- 389.09241 188.1
[M]+ 368.11719 191.3
[M]- 368.11829 191.3
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

No patent data available for this compound.