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]+ 287.14068 171.3
[M+Na]+ 309.12262 175.4
[M-H]- 285.12612 171.5
[M+NH4]+ 304.16722 186.6
[M+K]+ 325.09656 174.3
[M+H-H2O]+ 269.13066 162.5
[M+HCOO]- 331.13160 195.2
[M+CH3COO]- 345.14725 200.0
[M+Na-2H]- 307.10807 170.8
[M]+ 286.13285 175.8
[M]- 286.13395 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.