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
2
Annotation Hits

0
References

842
Patents

138.0481 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.055376 121.1
[M+Na]+ 161.037318 131.9
[M-H]- 137.040824 128.7
[M+NH4]+ 156.081923 137.0
[M+K]+ 177.011258 130.9
[M+H-H2O]+ 121.045360 113.9
[M+HCOO]- 183.046301 144.8
[M+CH3COO]- 197.061951 176.3
[M+Na-2H]- 159.022766 130.3
[M]+ 138.04755142 123.1
[M]- 138.04864858 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