CID 2735866

Allyl heptafluoroisopropyl ether

Structural Information

Molecular Formula
C6H5F7O
SMILES
C=CCOC(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C6H5F7O/c1-2-3-14-4(7,5(8,9)10)6(11,12)13/h2H,1,3H2
InChIKey
FXUHCQHWDACOKK-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3,3-heptafluoro-2-prop-2-enoxypropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

185
Patents

226.02286 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.030136 138.5
[M+Na]+ 249.012078 147.7
[M-H]- 225.015584 130.3
[M+NH4]+ 244.056683 156.4
[M+K]+ 264.986018 145.7
[M+H-H2O]+ 209.020120 129.2
[M+HCOO]- 271.021061 150.5
[M+CH3COO]- 285.036711 188.4
[M+Na-2H]- 246.997526 143.6
[M]+ 226.02231142 129.3
[M]- 226.02340858 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe