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

31
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 129.2
[M+Na]+ 191.04787 140.4
[M-H]- 167.05137 137.0
[M+NH4]+ 186.09247 144.1
[M+K]+ 207.02181 139.4
[M+H-H2O]+ 151.05591 121.9
[M+HCOO]- 213.05685 152.6
[M+CH3COO]- 227.07250 182.2
[M+Na-2H]- 189.03332 137.1
[M]+ 168.05810 133.4
[M]- 168.05920 133.4
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