CID 118646

Phenol, 4-nonyl-, phosphate, potassium salt

Structural Information

Molecular Formula
C15H25O4P
SMILES
CCCCCCCCCC1=CC=C(C=C1)OP(=O)(O)O
InChI
InChI=1S/C15H25O4P/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)19-20(16,17)18/h10-13H,2-9H2,1H3,(H2,16,17,18)
InChIKey
BIUMPKSWMFBEOF-UHFFFAOYSA-N
Compound name
(4-nonylphenyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1410
Patents

300.14905 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15633 176.3
[M+Na]+ 323.13827 181.0
[M-H]- 299.14177 175.1
[M+NH4]+ 318.18287 190.7
[M+K]+ 339.11221 177.7
[M+H-H2O]+ 283.14631 167.5
[M+HCOO]- 345.14725 200.3
[M+CH3COO]- 359.16290 200.1
[M+Na-2H]- 321.12372 176.5
[M]+ 300.14850 180.9
[M]- 300.14960 180.9
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