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

216
Patents

152.06374 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.071016 125.5
[M+Na]+ 175.052958 135.9
[M-H]- 151.056464 133.0
[M+NH4]+ 170.097563 140.8
[M+K]+ 191.026898 134.7
[M+H-H2O]+ 135.061000 118.2
[M+HCOO]- 197.061941 148.9
[M+CH3COO]- 211.077591 179.2
[M+Na-2H]- 173.038406 134.2
[M]+ 152.06319142 127.9
[M]- 152.06428858 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