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

1
Patents

410.1647 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.17198 203.3
[M+Na]+ 433.15392 206.9
[M-H]- 409.15742 210.4
[M+NH4]+ 428.19852 213.0
[M+K]+ 449.12786 202.6
[M+H-H2O]+ 393.16196 190.0
[M+HCOO]- 455.16290 229.4
[M+CH3COO]- 469.17855 223.6
[M+Na-2H]- 431.13937 204.0
[M]+ 410.16415 208.2
[M]- 410.16525 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