CID 14716

2-ethylhexyl diphenyl phosphate

Structural Information

Molecular Formula
C20H27O4P
SMILES
CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3
InChIKey
CGSLYBDCEGBZCG-UHFFFAOYSA-N
Compound name
2-ethylhexyl diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

27
References

18125
Patents

362.1647 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.171976 191.6
[M+Na]+ 385.153918 194.8
[M-H]- 361.157424 195.7
[M+NH4]+ 380.198523 203.8
[M+K]+ 401.127858 192.2
[M+H-H2O]+ 345.161960 180.2
[M+HCOO]- 407.162901 217.2
[M+CH3COO]- 421.178551 215.4
[M+Na-2H]- 383.139366 191.9
[M]+ 362.16415142 197.6
[M]- 362.16524858 197.6
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