CID 2774886

1765-92-0

Structural Information

Molecular Formula
C6H5F7O
SMILES
C1C(O1)CC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H5F7O/c7-4(8,1-3-2-14-3)5(9,10)6(11,12)13/h3H,1-2H2
InChIKey
YXNWXQYDINSHJC-UHFFFAOYSA-N
Compound name
2-(2,2,3,3,4,4,4-heptafluorobutyl)oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

29
Patents

226.02286 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.03014 170.0
[M+Na]+ 249.01208 171.8
[M+NH4]+ 244.05668 171.0
[M+K]+ 264.98602 170.8
[M-H]- 225.01558 166.4
[M+Na-2H]- 246.99753 169.4
[M]+ 226.02231 169.3
[M]- 226.02341 169.3
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

patents stripe