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
2
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 155.4
[M+Na]+ 329.01946 164.0
[M-H]- 305.02296 144.9
[M+NH4]+ 324.06406 169.7
[M+K]+ 344.99340 162.1
[M+H-H2O]+ 289.02750 144.5
[M+HCOO]- 351.02844 162.4
[M+CH3COO]- 365.04409 203.5
[M+Na-2H]- 327.00491 158.4
[M]+ 306.02969 144.2
[M]- 306.03079 144.2
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.