CID 12619670

4698-95-7

Structural Information

Molecular Formula
C10H9F3O2
SMILES
C1C(O1)COC2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C10H9F3O2/c11-10(12,13)8-3-1-2-4-9(8)15-6-7-5-14-7/h1-4,7H,5-6H2
InChIKey
RKCRMVILALALDZ-UHFFFAOYSA-N
Compound name
2-[[2-(trifluoromethyl)phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

218.05547 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.062746 136.9
[M+Na]+ 241.044688 147.1
[M-H]- 217.048194 141.6
[M+NH4]+ 236.089293 149.5
[M+K]+ 257.018628 145.5
[M+H-H2O]+ 201.052730 127.7
[M+HCOO]- 263.053671 156.5
[M+CH3COO]- 277.069321 189.0
[M+Na-2H]- 239.030136 144.5
[M]+ 218.05492142 138.2
[M]- 218.05601858 138.2
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

patents stripe