CID 101887008

6:2fteo2

Structural Information

Molecular Formula
C12H13F13O3
SMILES
C(COCCOCCO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H13F13O3/c13-7(14,1-3-27-5-6-28-4-2-26)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h26H,1-6H2
InChIKey
CDWRBBRSAKYQBQ-UHFFFAOYSA-N
Compound name
2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

452.0657 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.07298 162.7
[M+Na]+ 475.05492 167.4
[M-H]- 451.05842 164.4
[M+NH4]+ 470.09952 168.2
[M+K]+ 491.02886 172.1
[M+H-H2O]+ 435.06296 177.1
[M+HCOO]- 497.06390 181.7
[M+CH3COO]- 511.07955 227.5
[M+Na-2H]- 473.04037 159.1
[M]+ 452.06515 161.0
[M]- 452.06625 161.0
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