CID 86215874

2-(difluoromethyl)oxirane

Structural Information

Molecular Formula
C3H4F2O
SMILES
C1C(O1)C(F)F
InChI
InChI=1S/C3H4F2O/c4-3(5)2-1-6-2/h2-3H,1H2
InChIKey
FTCQYMALCXGFFQ-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

137
Patents

94.02302 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.030296 109.4
[M+Na]+ 117.01224 119.5
[M-H]- 93.015744 112.7
[M+NH4]+ 112.05684 126.7
[M+K]+ 132.98618 120.1
[M+H-H2O]+ 77.020280 102.2
[M+HCOO]- 139.02122 130.8
[M+CH3COO]- 153.03687 168.8
[M+Na-2H]- 114.99769 117.6
[M]+ 94.022471 109.8
[M]- 94.023569 109.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe