CID 50913475

2-(2,2,3,4,4,4-hexafluorobutoxy)ethanol

Structural Information

Molecular Formula
C6H8F6O2
SMILES
C(COCC(C(C(F)(F)F)F)(F)F)O
InChI
InChI=1S/C6H8F6O2/c7-4(6(10,11)12)5(8,9)3-14-2-1-13/h4,13H,1-3H2
InChIKey
DBCKBJPBDWIANA-UHFFFAOYSA-N
Compound name
2-(2,2,3,4,4,4-hexafluorobutoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

226.04285 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05013 140.4
[M+Na]+ 249.03207 148.1
[M-H]- 225.03557 131.7
[M+NH4]+ 244.07667 157.6
[M+K]+ 265.00601 146.6
[M+H-H2O]+ 209.04011 131.5
[M+HCOO]- 271.04105 152.7
[M+CH3COO]- 285.05670 186.5
[M+Na-2H]- 247.01752 143.7
[M]+ 226.04230 133.0
[M]- 226.04340 133.0
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