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

1
Patents

108.03867 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.045946 113.9
[M+Na]+ 131.027888 124.3
[M-H]- 107.031394 117.4
[M+NH4]+ 126.072493 132.6
[M+K]+ 147.001828 125.5
[M+H-H2O]+ 91.035930 107.8
[M+HCOO]- 153.036871 134.6
[M+CH3COO]- 167.052521 171.3
[M+Na-2H]- 129.013336 122.6
[M]+ 108.03812142 115.1
[M]- 108.03921858 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

patents stripe