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]+ 167.086666 129.6
[M+Na]+ 189.068608 140.4
[M-H]- 165.072114 137.2
[M+NH4]+ 184.113213 144.7
[M+K]+ 205.042548 138.9
[M+H-H2O]+ 149.076650 122.3
[M+HCOO]- 211.077591 152.6
[M+CH3COO]- 225.093241 183.1
[M+Na-2H]- 187.054056 137.1
[M]+ 166.07884142 132.7
[M]- 166.07993858 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.