CID 2776690

243128-42-9

Structural Information

Molecular Formula
C8H5F11O2
SMILES
C1C(O1)CC(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C8H5F11O2/c9-4(6(12,13)14,1-3-2-20-3)21-8(18,19)5(10,11)7(15,16)17/h3H,1-2H2
InChIKey
CSMFZPWRCMEYPI-UHFFFAOYSA-N
Compound name
2-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

342.01138 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.018656 146.8
[M+Na]+ 365.000598 156.5
[M-H]- 341.004104 139.2
[M+NH4]+ 360.045203 153.9
[M+K]+ 380.974538 154.2
[M+H-H2O]+ 325.008640 133.2
[M+HCOO]- 387.009581 150.9
[M+CH3COO]- 401.025231 210.8
[M+Na-2H]- 362.986046 153.3
[M]+ 342.01083142 135.8
[M]- 342.01192858 135.8
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