CID 146082052

2,3,5,6-tetrafluorophenyl 14-hydroxy-3,6,9,12-tetraoxatetradecanoate

Structural Information

Molecular Formula
C16H20F4O7
SMILES
C1=C(C(=C(C(=C1F)F)OC(=O)COCCOCCOCCOCCO)F)F
InChI
InChI=1S/C16H20F4O7/c17-11-9-12(18)15(20)16(14(11)19)27-13(22)10-26-8-7-25-6-5-24-4-3-23-2-1-21/h9,21H,1-8,10H2
InChIKey
IAQZNFCJUWXAIR-UHFFFAOYSA-N
Compound name
(2,3,5,6-tetrafluorophenyl) 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1145 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.12178 184.1
[M+Na]+ 423.10372 191.1
[M-H]- 399.10722 180.6
[M+NH4]+ 418.14832 194.6
[M+K]+ 439.07766 189.0
[M+H-H2O]+ 383.11176 172.8
[M+HCOO]- 445.11270 201.0
[M+CH3COO]- 459.12835 219.0
[M+Na-2H]- 421.08917 182.2
[M]+ 400.11395 190.2
[M]- 400.11505 190.2
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.