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

29
Patents

168.05865 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.065926 129.2
[M+Na]+ 191.047868 140.4
[M-H]- 167.051374 137.0
[M+NH4]+ 186.092473 144.1
[M+K]+ 207.021808 139.4
[M+H-H2O]+ 151.055910 121.9
[M+HCOO]- 213.056851 152.6
[M+CH3COO]- 227.072501 182.2
[M+Na-2H]- 189.033316 137.1
[M]+ 168.05810142 133.4
[M]- 168.05919858 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