CID 23089516

2-(1,1,2,2,2-pentafluoroethyl)oxirane

Structural Information

Molecular Formula
C4H3F5O
SMILES
C1C(O1)C(C(F)(F)F)(F)F
InChI
InChI=1S/C4H3F5O/c5-3(6,2-1-10-2)4(7,8)9/h2H,1H2
InChIKey
VQWGFENTQFTYAN-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,2-pentafluoroethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

162.0104 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.01768 117.1
[M+Na]+ 184.99962 127.7
[M-H]- 161.00312 116.6
[M+NH4]+ 180.04422 131.7
[M+K]+ 200.97356 127.1
[M+H-H2O]+ 145.00766 107.9
[M+HCOO]- 207.00860 132.9
[M+CH3COO]- 221.02425 179.3
[M+Na-2H]- 182.98507 125.7
[M]+ 162.00985 113.6
[M]- 162.01095 113.6
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