CID 9674

Ether, ethyl heptafluoroisobutenyl

Structural Information

Molecular Formula
C6H5F7O
SMILES
CCOC(=C(C(F)(F)F)C(F)(F)F)F
InChI
InChI=1S/C6H5F7O/c1-2-14-4(7)3(5(8,9)10)6(11,12)13/h2H2,1H3
InChIKey
BSZWZZSFVRISOG-UHFFFAOYSA-N
Compound name
1-ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

226.02286 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.030136 138.0
[M+Na]+ 249.012078 146.4
[M-H]- 225.015584 129.7
[M+NH4]+ 244.056683 155.8
[M+K]+ 264.986018 144.9
[M+H-H2O]+ 209.020120 128.3
[M+HCOO]- 271.021061 149.7
[M+CH3COO]- 285.036711 188.8
[M+Na-2H]- 246.997526 139.9
[M]+ 226.02231142 128.1
[M]- 226.02340858 128.1
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