CID 34149

28109-00-4

Structural Information

Molecular Formula
C24H27O4P
SMILES
CC(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3C(C)C
InChI
InChI=1S/C24H27O4P/c1-18(2)21-14-8-10-16-23(21)27-29(25,26-20-12-6-5-7-13-20)28-24-17-11-9-15-22(24)19(3)4/h5-19H,1-4H3
InChIKey
RMNODSGCFHVNDC-UHFFFAOYSA-N
Compound name
phenyl bis(2-propan-2-ylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

829
Patents

410.1647 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.17198 201.9
[M+Na]+ 433.15392 205.8
[M-H]- 409.15742 209.7
[M+NH4]+ 428.19852 211.9
[M+K]+ 449.12786 202.9
[M+H-H2O]+ 393.16196 189.3
[M+HCOO]- 455.16290 226.1
[M+CH3COO]- 469.17855 226.4
[M+Na-2H]- 431.13937 199.9
[M]+ 410.16415 206.2
[M]- 410.16525 206.2
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