CID 139822692

2-[4-methyl-3-(trifluoromethyl)phenyl]oxirane

Structural Information

Molecular Formula
C10H9F3O
SMILES
CC1=C(C=C(C=C1)C2CO2)C(F)(F)F
InChI
InChI=1S/C10H9F3O/c1-6-2-3-7(9-5-14-9)4-8(6)10(11,12)13/h2-4,9H,5H2,1H3
InChIKey
KAGUVSLJCBRLNZ-UHFFFAOYSA-N
Compound name
2-[4-methyl-3-(trifluoromethyl)phenyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.06055 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.067826 132.6
[M+Na]+ 225.049768 143.7
[M-H]- 201.053274 137.7
[M+NH4]+ 220.094373 146.2
[M+K]+ 241.023708 141.7
[M+H-H2O]+ 185.057810 123.8
[M+HCOO]- 247.058751 151.9
[M+CH3COO]- 261.074401 188.2
[M+Na-2H]- 223.035216 139.6
[M]+ 202.06000142 132.8
[M]- 202.06109858 132.8
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.