CID 13767289

Bis(3-isopropylphenyl) phenyl phosphate

Structural Information

Molecular Formula
C24H27O4P
SMILES
CC(C)C1=CC(=CC=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC(=C3)C(C)C
InChI
InChI=1S/C24H27O4P/c1-18(2)20-10-8-14-23(16-20)27-29(25,26-22-12-6-5-7-13-22)28-24-15-9-11-21(17-24)19(3)4/h5-19H,1-4H3
InChIKey
SQLHDIHSVZELNE-UHFFFAOYSA-N
Compound name
phenyl bis(3-propan-2-ylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

No literature data available for this compound.

Patent stripe

patents stripe