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

149
Patents

122.05432 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.06160 116.9
[M+Na]+ 145.04354 123.9
[M-H]- 121.04704 118.9
[M+NH4]+ 140.08814 133.5
[M+K]+ 161.01748 127.6
[M+H-H2O]+ 105.05158 107.1
[M+HCOO]- 167.05252 136.8
[M+CH3COO]- 181.06817 172.8
[M+Na-2H]- 143.02899 125.5
[M]+ 122.05377 123.6
[M]- 122.05487 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