CID 112655

Phosphoric acid, mono(dimethylhexyl) monophenyl ester

Structural Information

Molecular Formula
C14H23O4P
SMILES
CC(C)CCC(C)COP(=O)(O)OC1=CC=CC=C1
InChI
InChI=1S/C14H23O4P/c1-12(2)9-10-13(3)11-17-19(15,16)18-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,15,16)
InChIKey
WOHBRCAYJSXFHT-UHFFFAOYSA-N
Compound name
2,5-dimethylhexyl phenyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1334 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.140676 171.3
[M+Na]+ 309.122618 175.4
[M-H]- 285.126124 171.5
[M+NH4]+ 304.167223 186.6
[M+K]+ 325.096558 174.3
[M+H-H2O]+ 269.130660 162.5
[M+HCOO]- 331.131601 195.2
[M+CH3COO]- 345.147251 200.0
[M+Na-2H]- 307.108066 170.8
[M]+ 286.13285142 175.8
[M]- 286.13394858 175.8
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

No patent data available for this compound.