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

3
Patents

342.01138 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.01866 146.8
[M+Na]+ 365.00060 156.5
[M-H]- 341.00410 139.2
[M+NH4]+ 360.04520 153.9
[M+K]+ 380.97454 154.2
[M+H-H2O]+ 325.00864 133.2
[M+HCOO]- 387.00958 150.9
[M+CH3COO]- 401.02523 210.8
[M+Na-2H]- 362.98605 153.3
[M]+ 342.01083 135.8
[M]- 342.01193 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