CID 53402014

2,2-difluoro-7-oxabicyclo[4.1.0]heptane

Structural Information

Molecular Formula
C6H8F2O
SMILES
C1CC2C(O2)C(C1)(F)F
InChI
InChI=1S/C6H8F2O/c7-6(8)3-1-2-4-5(6)9-4/h4-5H,1-3H2
InChIKey
OSKDANUBQCCDRI-UHFFFAOYSA-N
Compound name
2,2-difluoro-7-oxabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

134.05432 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06160 121.8
[M+Na]+ 157.04354 132.1
[M-H]- 133.04704 125.7
[M+NH4]+ 152.08814 140.6
[M+K]+ 173.01748 132.1
[M+H-H2O]+ 117.05158 115.3
[M+HCOO]- 179.05252 139.8
[M+CH3COO]- 193.06817 175.2
[M+Na-2H]- 155.02899 130.8
[M]+ 134.05377 120.8
[M]- 134.05487 120.8
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