CID 207936

31185-68-9

Structural Information

Molecular Formula
C10H11F7O3
SMILES
CCC12COC(OC1)(OC2)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H11F7O3/c1-2-6-3-18-10(19-4-6,20-5-6)8(13,14)7(11,12)9(15,16)17/h2-5H2,1H3
InChIKey
MEQDZELXTCMMLF-UHFFFAOYSA-N
Compound name
4-ethyl-1-(1,1,2,2,3,3,3-heptafluoropropyl)-2,6,7-trioxabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

312.05963 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.06691 168.4
[M+Na]+ 335.04885 175.6
[M-H]- 311.05235 158.8
[M+NH4]+ 330.09345 187.0
[M+K]+ 351.02279 176.5
[M+H-H2O]+ 295.05689 159.5
[M+HCOO]- 357.05783 166.1
[M+CH3COO]- 371.07348 205.6
[M+Na-2H]- 333.03430 182.5
[M]+ 312.05908 164.3
[M]- 312.06018 164.3
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

No patent data available for this compound.