CID 82074767

2-(5-fluoro-2-methoxyphenyl)oxirane

Structural Information

Molecular Formula
C9H9FO2
SMILES
COC1=C(C=C(C=C1)F)C2CO2
InChI
InChI=1S/C9H9FO2/c1-11-8-3-2-6(10)4-7(8)9-5-12-9/h2-4,9H,5H2,1H3
InChIKey
ULRNCTGIUAGBCD-UHFFFAOYSA-N
Compound name
2-(5-fluoro-2-methoxyphenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

168.05865 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06593 136.8
[M+Na]+ 191.04787 151.0
[M+NH4]+ 186.09247 145.8
[M+K]+ 207.02181 146.4
[M-H]- 167.05137 147.0
[M+Na-2H]- 189.03332 146.2
[M]+ 168.05810 142.8
[M]- 168.05920 142.8
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