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
5
Annotation Hits

0
References

849
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 188.9
[M+Na]+ 391.10696 193.5
[M-H]- 367.11046 196.7
[M+NH4]+ 386.15156 200.4
[M+K]+ 407.08090 190.6
[M+H-H2O]+ 351.11500 176.6
[M+HCOO]- 413.11594 215.2
[M+CH3COO]- 427.13159 215.6
[M+Na-2H]- 389.09241 190.2
[M]+ 368.11719 192.3
[M]- 368.11829 192.3
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