CID 88673440

2-methyl-2-(pentafluoroethyl)oxirane

Structural Information

Molecular Formula
C5H5F5O
SMILES
CC1(CO1)C(C(F)(F)F)(F)F
InChI
InChI=1S/C5H5F5O/c1-3(2-11-3)4(6,7)5(8,9)10/h2H2,1H3
InChIKey
IAQAMAMRICGFFH-UHFFFAOYSA-N
Compound name
2-methyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

176.02606 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.03334 121.6
[M+Na]+ 199.01528 132.5
[M-H]- 175.01878 121.3
[M+NH4]+ 194.05988 137.5
[M+K]+ 214.98922 132.6
[M+H-H2O]+ 159.02332 113.6
[M+HCOO]- 221.02426 136.8
[M+CH3COO]- 235.03991 181.8
[M+Na-2H]- 197.00073 130.9
[M]+ 176.02551 118.9
[M]- 176.02661 118.9
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