CID 14048761

Phenol, nonyl-, phosphate, ammonium salt

Structural Information

Molecular Formula
C15H25O4P
SMILES
CCCCCCCCCC1=CC=CC=C1OP(=O)(O)O
InChI
InChI=1S/C15H25O4P/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)19-20(16,17)18/h9-10,12-13H,2-8,11H2,1H3,(H2,16,17,18)
InChIKey
UUIPAJHTKDSSOK-UHFFFAOYSA-N
Compound name
(2-nonylphenyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2759
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

literature stripe

Patent stripe

patents stripe