CID 3020175

84852-42-6

Structural Information

Molecular Formula
C20H43O6P
SMILES
CCCCC(CC)COCCOP(=O)(O)OCCOCC(CC)CCCC
InChI
InChI=1S/C20H43O6P/c1-5-9-11-19(7-3)17-23-13-15-25-27(21,22)26-16-14-24-18-20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3,(H,21,22)
InChIKey
ZGTYWSPCTMYUOZ-UHFFFAOYSA-N
Compound name
bis[2-(2-ethylhexoxy)ethyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

410.27972 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.28700 206.9
[M+Na]+ 433.26894 211.2
[M-H]- 409.27244 198.5
[M+NH4]+ 428.31354 209.8
[M+K]+ 449.24288 206.9
[M+H-H2O]+ 393.27698 199.8
[M+HCOO]- 455.27792 217.5
[M+CH3COO]- 469.29357 226.2
[M+Na-2H]- 431.25439 193.7
[M]+ 410.27917 206.4
[M]- 410.28027 206.4
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

patents stripe