CID 137838565

2-(difluoromethyl)-2-methyloxirane

Structural Information

Molecular Formula
C4H6F2O
SMILES
CC1(CO1)C(F)F
InChI
InChI=1S/C4H6F2O/c1-4(2-7-4)3(5)6/h3H,2H2,1H3
InChIKey
IAYYNPIDPKSVPX-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-2-methyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

108.03867 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.04595 113.9
[M+Na]+ 131.02789 124.3
[M-H]- 107.03139 117.4
[M+NH4]+ 126.07249 132.6
[M+K]+ 147.00183 125.5
[M+H-H2O]+ 91.035930 107.8
[M+HCOO]- 153.03687 134.6
[M+CH3COO]- 167.05252 171.3
[M+Na-2H]- 129.01334 122.6
[M]+ 108.03812 115.1
[M]- 108.03922 115.1
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

No patent data available for this compound.