CID 15591291

2-ethylhexyl phenyl phosphate

Structural Information

Molecular Formula
C14H23O4P
SMILES
CCCCC(CC)COP(=O)(O)OC1=CC=CC=C1
InChI
InChI=1S/C14H23O4P/c1-3-5-9-13(4-2)12-17-19(15,16)18-14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3,(H,15,16)
InChIKey
UGIWGFXQNPWKPR-UHFFFAOYSA-N
Compound name
2-ethylhexyl phenyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

313
Patents

286.1334 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.14068 171.5
[M+Na]+ 309.12262 175.9
[M-H]- 285.12612 171.6
[M+NH4]+ 304.16722 186.8
[M+K]+ 325.09656 174.2
[M+H-H2O]+ 269.13066 162.6
[M+HCOO]- 331.13160 196.4
[M+CH3COO]- 345.14725 199.2
[M+Na-2H]- 307.10807 172.2
[M]+ 286.13285 176.6
[M]- 286.13395 176.6
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