CID 13652419

Phenol, octyl-, hydrogen phosphate

Structural Information

Molecular Formula
C28H43O4P
SMILES
CCCCCCCCC1=CC=CC=C1OP(=O)(O)OC2=CC=CC=C2CCCCCCCC
InChI
InChI=1S/C28H43O4P/c1-3-5-7-9-11-13-19-25-21-15-17-23-27(25)31-33(29,30)32-28-24-18-16-22-26(28)20-14-12-10-8-6-4-2/h15-18,21-24H,3-14,19-20H2,1-2H3,(H,29,30)
InChIKey
MHPZOLWFFCQILC-UHFFFAOYSA-N
Compound name
bis(2-octylphenyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

82
Patents

474.2899 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.29718 228.2
[M+Na]+ 497.27912 229.4
[M-H]- 473.28262 229.8
[M+NH4]+ 492.32372 235.6
[M+K]+ 513.25306 223.8
[M+H-H2O]+ 457.28716 215.6
[M+HCOO]- 519.28810 250.3
[M+CH3COO]- 533.30375 238.1
[M+Na-2H]- 495.26457 223.6
[M]+ 474.28935 236.4
[M]- 474.29045 236.4
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