CID 14372923

2-(3,4-difluorophenyl)oxirane

Structural Information

Molecular Formula
C8H6F2O
SMILES
C1C(O1)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C8H6F2O/c9-6-2-1-5(3-7(6)10)8-4-11-8/h1-3,8H,4H2
InChIKey
UNJRFWWCCAHSRB-UHFFFAOYSA-N
Compound name
2-(3,4-difluorophenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

156.03867 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04595 122.3
[M+Na]+ 179.02789 134.0
[M-H]- 155.03139 128.9
[M+NH4]+ 174.07249 137.7
[M+K]+ 195.00183 132.4
[M+H-H2O]+ 139.03593 114.3
[M+HCOO]- 201.03687 144.9
[M+CH3COO]- 215.05252 180.0
[M+Na-2H]- 177.01334 130.3
[M]+ 156.03812 123.7
[M]- 156.03922 123.7
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