CID 15255549

Ethyl 3,3,4,4,5,5,6,6,6-nonafluorohexanoate

Structural Information

Molecular Formula
C8H7F9O2
SMILES
CCOC(=O)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H7F9O2/c1-2-19-4(18)3-5(9,10)6(11,12)7(13,14)8(15,16)17/h2-3H2,1H3
InChIKey
OJIWQOOBUZRMCG-UHFFFAOYSA-N
Compound name
ethyl 3,3,4,4,5,5,6,6,6-nonafluorohexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.03024 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.03752 187.2
[M+Na]+ 329.01946 187.8
[M+NH4]+ 324.06406 186.3
[M+K]+ 344.99340 185.2
[M-H]- 305.02296 178.6
[M+Na-2H]- 327.00491 183.7
[M]+ 306.02969 184.4
[M]- 306.03079 184.4
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.