CID 85771

2-ethylhexyl phosphonic acid mono-2-ethylhexyl ester

Structural Information

Molecular Formula
C16H35O3P
SMILES
CCCCC(CC)COP(=O)(CC(CC)CCCC)O
InChI
InChI=1S/C16H35O3P/c1-5-9-11-15(7-3)13-19-20(17,18)14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18)
InChIKey
ZDFBXXSHBTVQMB-UHFFFAOYSA-N
Compound name
2-ethylhexoxy(2-ethylhexyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

2541
Patents

306.2324 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.239676 187.0
[M+Na]+ 329.221618 189.5
[M-H]- 305.225124 183.2
[M+NH4]+ 324.266223 202.1
[M+K]+ 345.195558 187.7
[M+H-H2O]+ 289.229660 179.0
[M+HCOO]- 351.230601 208.5
[M+CH3COO]- 365.246251 208.6
[M+Na-2H]- 327.207066 182.9
[M]+ 306.23185142 193.8
[M]- 306.23294858 193.8
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