CID 53753225

2-[(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)oxy]ethan-1-ol

Structural Information

Molecular Formula
C8H7F11O2
SMILES
C(COCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C8H7F11O2/c9-4(10,3-21-2-1-20)5(11,12)6(13,14)7(15,16)8(17,18)19/h20H,1-3H2
InChIKey
DCPYMVVGFRCXDW-UHFFFAOYSA-N
Compound name
2-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

344.02704 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.03432 164.0
[M+Na]+ 367.01626 172.4
[M-H]- 343.01976 150.2
[M+NH4]+ 362.06086 175.9
[M+K]+ 382.99020 169.6
[M+H-H2O]+ 327.02430 151.9
[M+HCOO]- 389.02524 166.6
[M+CH3COO]- 403.04089 208.4
[M+Na-2H]- 365.00171 167.5
[M]+ 344.02649 148.6
[M]- 344.02759 148.6
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