CID 115410551

2-[(4-fluoro-3-methylphenyl)methyl]oxirane

Structural Information

Molecular Formula
C10H11FO
SMILES
CC1=C(C=CC(=C1)CC2CO2)F
InChI
InChI=1S/C10H11FO/c1-7-4-8(2-3-10(7)11)5-9-6-12-9/h2-4,9H,5-6H2,1H3
InChIKey
GODATNLOVBIVNU-UHFFFAOYSA-N
Compound name
2-[(4-fluoro-3-methylphenyl)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07939 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08667 129.6
[M+Na]+ 189.06861 140.4
[M-H]- 165.07211 137.2
[M+NH4]+ 184.11321 144.7
[M+K]+ 205.04255 138.9
[M+H-H2O]+ 149.07665 122.3
[M+HCOO]- 211.07759 152.6
[M+CH3COO]- 225.09324 183.1
[M+Na-2H]- 187.05406 137.1
[M]+ 166.07884 132.7
[M]- 166.07994 132.7
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

No patent data available for this compound.