CID 137944651

2,2-difluoro-6-oxabicyclo[3.1.0]hexane

Structural Information

Molecular Formula
C5H6F2O
SMILES
C1CC(C2C1O2)(F)F
InChI
InChI=1S/C5H6F2O/c6-5(7)2-1-3-4(5)8-3/h3-4H,1-2H2
InChIKey
JWRVPESNGKQHRP-UHFFFAOYSA-N
Compound name
2,2-difluoro-6-oxabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

120.03867 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04595 115.6
[M+Na]+ 143.02789 127.2
[M-H]- 119.03139 119.7
[M+NH4]+ 138.07249 136.6
[M+K]+ 159.00183 126.8
[M+H-H2O]+ 103.03593 110.0
[M+HCOO]- 165.03687 135.7
[M+CH3COO]- 179.05252 172.2
[M+Na-2H]- 141.01334 124.0
[M]+ 120.03812 116.2
[M]- 120.03922 116.2
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