CID 12603408

3,3-bis(fluoromethyl)oxetane

Structural Information

Molecular Formula
C5H8F2O
SMILES
C1C(CO1)(CF)CF
InChI
InChI=1S/C5H8F2O/c6-1-5(2-7)3-8-4-5/h1-4H2
InChIKey
MSXYVRFANVULOQ-UHFFFAOYSA-N
Compound name
3,3-bis(fluoromethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

122.05432 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.061596 116.9
[M+Na]+ 145.043538 123.9
[M-H]- 121.047044 118.9
[M+NH4]+ 140.088143 133.5
[M+K]+ 161.017478 127.6
[M+H-H2O]+ 105.051580 107.1
[M+HCOO]- 167.052521 136.8
[M+CH3COO]- 181.068171 172.8
[M+Na-2H]- 143.028986 125.5
[M]+ 122.05377142 123.6
[M]- 122.05486858 123.6
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