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

20
Patents

218.05547 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06275 136.9
[M+Na]+ 241.04469 147.1
[M-H]- 217.04819 141.6
[M+NH4]+ 236.08929 149.5
[M+K]+ 257.01863 145.5
[M+H-H2O]+ 201.05273 127.7
[M+HCOO]- 263.05367 156.5
[M+CH3COO]- 277.06932 189.0
[M+Na-2H]- 239.03014 144.5
[M]+ 218.05492 138.2
[M]- 218.05602 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