CID 13204822

1-ethoxy-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol

Structural Information

Molecular Formula
C8H9F9O2
SMILES
CCOCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C8H9F9O2/c1-2-19-3-4(18)5(9,10)6(11,12)7(13,14)8(15,16)17/h4,18H,2-3H2,1H3
InChIKey
CFHMZROKMSLQRX-UHFFFAOYSA-N
Compound name
1-ethoxy-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

308.04587 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.05315 156.9
[M+Na]+ 331.03509 164.7
[M-H]- 307.03859 145.0
[M+NH4]+ 326.07969 170.5
[M+K]+ 347.00903 162.6
[M+H-H2O]+ 291.04313 146.1
[M+HCOO]- 353.04407 162.3
[M+CH3COO]- 367.05972 202.6
[M+Na-2H]- 329.02054 159.5
[M]+ 308.04532 144.6
[M]- 308.04642 144.6
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

No patent data available for this compound.