CID 12407139

2-[(4-fluorophenyl)methyl]oxirane

Structural Information

Molecular Formula
C9H9FO
SMILES
C1C(O1)CC2=CC=C(C=C2)F
InChI
InChI=1S/C9H9FO/c10-8-3-1-7(2-4-8)5-9-6-11-9/h1-4,9H,5-6H2
InChIKey
KAKVFQDCNJBRFO-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

152.06374 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07102 125.5
[M+Na]+ 175.05296 135.9
[M-H]- 151.05646 133.0
[M+NH4]+ 170.09756 140.8
[M+K]+ 191.02690 134.7
[M+H-H2O]+ 135.06100 118.2
[M+HCOO]- 197.06194 148.9
[M+CH3COO]- 211.07759 179.2
[M+Na-2H]- 173.03841 134.2
[M]+ 152.06319 127.9
[M]- 152.06429 127.9
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