CID 2724792

2-[(4-fluorophenoxy)methyl]oxirane

Structural Information

Molecular Formula
C9H9FO2
SMILES
C1C(O1)COC2=CC=C(C=C2)F
InChI
InChI=1S/C9H9FO2/c10-7-1-3-8(4-2-7)11-5-9-6-12-9/h1-4,9H,5-6H2
InChIKey
CGWDABYOHPEOAD-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

308
Patents

168.05865 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06593 129.5
[M+Na]+ 191.04787 139.8
[M-H]- 167.05137 136.9
[M+NH4]+ 186.09247 144.1
[M+K]+ 207.02181 138.9
[M+H-H2O]+ 151.05591 122.0
[M+HCOO]- 213.05685 153.0
[M+CH3COO]- 227.07250 181.1
[M+Na-2H]- 189.03332 138.0
[M]+ 168.05810 133.3
[M]- 168.05920 133.3
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