CID 4065230

2-(4-fluorophenyl)oxirane

Structural Information

Molecular Formula
C8H7FO
SMILES
C1C(O1)C2=CC=C(C=C2)F
InChI
InChI=1S/C8H7FO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2
InChIKey
ICVNPQMUUHPPOK-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

853
Patents

138.0481 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05538 121.1
[M+Na]+ 161.03732 131.9
[M-H]- 137.04082 128.7
[M+NH4]+ 156.08192 137.0
[M+K]+ 177.01126 130.9
[M+H-H2O]+ 121.04536 113.9
[M+HCOO]- 183.04630 144.8
[M+CH3COO]- 197.06195 176.3
[M+Na-2H]- 159.02277 130.3
[M]+ 138.04755 123.1
[M]- 138.04865 123.1
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