CID 16735287

2-[4-(trifluoromethyl)phenyl]-2-methyloxirane

Structural Information

Molecular Formula
C10H9F3O
SMILES
CC1(CO1)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C10H9F3O/c1-9(6-14-9)7-2-4-8(5-3-7)10(11,12)13/h2-5H,6H2,1H3
InChIKey
NDMMVAQVPQYQDY-UHFFFAOYSA-N
Compound name
2-methyl-2-[4-(trifluoromethyl)phenyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

202.06055 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06783 133.3
[M+Na]+ 225.04977 144.3
[M-H]- 201.05327 138.5
[M+NH4]+ 220.09437 148.6
[M+K]+ 241.02371 143.4
[M+H-H2O]+ 185.05781 125.4
[M+HCOO]- 247.05875 152.4
[M+CH3COO]- 261.07440 186.7
[M+Na-2H]- 223.03522 142.0
[M]+ 202.06000 133.6
[M]- 202.06110 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe