CID 207934

Brn 1373494

Structural Information

Molecular Formula
C9H11F5O3
SMILES
CCC12OCC(CO1)(CO2)C(C(F)(F)F)(F)F
InChI
InChI=1S/C9H11F5O3/c1-2-7-15-3-6(4-16-7,5-17-7)8(10,11)9(12,13)14/h2-5H2,1H3
InChIKey
MVEILCHVGHQHFT-UHFFFAOYSA-N
Compound name
1-ethyl-4-(1,1,2,2,2-pentafluoroethyl)-2,6,7-trioxabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.06284 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.07012 155.0
[M+Na]+ 285.05206 162.1
[M-H]- 261.05556 147.9
[M+NH4]+ 280.09666 175.9
[M+K]+ 301.02600 163.5
[M+H-H2O]+ 245.06010 147.3
[M+HCOO]- 307.06104 156.7
[M+CH3COO]- 321.07669 196.5
[M+Na-2H]- 283.03751 169.9
[M]+ 262.06229 153.8
[M]- 262.06339 153.8
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

No patent data available for this compound.