CID 71379474

646063-05-0

Structural Information

Molecular Formula
C8H7F9O
SMILES
C=CCOCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H7F9O/c1-2-3-18-4-5(9,10)6(11,12)7(13,14)8(15,16)17/h2H,1,3-4H2
InChIKey
DFAVYPDOSQULGD-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoro-5-prop-2-enoxypentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

290.0353 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.042576 153.5
[M+Na]+ 313.024518 162.3
[M-H]- 289.028024 142.9
[M+NH4]+ 308.069123 168.5
[M+K]+ 328.998458 159.4
[M+H-H2O]+ 273.032560 142.5
[M+HCOO]- 335.033501 161.1
[M+CH3COO]- 349.049151 201.6
[M+Na-2H]- 311.009966 157.3
[M]+ 290.03475142 141.6
[M]- 290.03584858 141.6
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.