CID 112292

4-hexylphenyl diphenyl phosphate

Structural Information

Molecular Formula
C24H27O4P
SMILES
CCCCCCC1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C24H27O4P/c1-2-3-4-7-12-21-17-19-24(20-18-21)28-29(25,26-22-13-8-5-9-14-22)27-23-15-10-6-11-16-23/h5-6,8-11,13-20H,2-4,7,12H2,1H3
InChIKey
SHEFBWFSFKJWBK-UHFFFAOYSA-N
Compound name
(4-hexylphenyl) diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

410.1647 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.171976 203.3
[M+Na]+ 433.153918 206.9
[M-H]- 409.157424 210.4
[M+NH4]+ 428.198523 213.0
[M+K]+ 449.127858 202.6
[M+H-H2O]+ 393.161960 190.0
[M+HCOO]- 455.162901 229.4
[M+CH3COO]- 469.178551 223.6
[M+Na-2H]- 431.139366 204.0
[M]+ 410.16415142 208.2
[M]- 410.16524858 208.2
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