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]+ 203.06783 132.6
[M+Na]+ 225.04977 143.7
[M-H]- 201.05327 137.7
[M+NH4]+ 220.09437 146.2
[M+K]+ 241.02371 141.7
[M+H-H2O]+ 185.05781 123.8
[M+HCOO]- 247.05875 151.9
[M+CH3COO]- 261.07440 188.2
[M+Na-2H]- 223.03522 139.6
[M]+ 202.06000 132.8
[M]- 202.06110 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.