CID 34148

Isopropylphenyl diphenyl phosphate

Structural Information

Molecular Formula
C21H21O4P
SMILES
CC(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C21H21O4P/c1-17(2)20-15-9-10-16-21(20)25-26(22,23-18-11-5-3-6-12-18)24-19-13-7-4-8-14-19/h3-17H,1-2H3
InChIKey
JJXNVYMIYBNZQX-UHFFFAOYSA-N
Compound name
diphenyl (2-propan-2-ylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

728
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 186.9
[M+Na]+ 391.10696 201.3
[M+NH4]+ 386.15156 194.1
[M+K]+ 407.08090 193.8
[M-H]- 367.11046 192.3
[M+Na-2H]- 389.09241 197.5
[M]+ 368.11719 190.6
[M]- 368.11829 190.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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