CID 2734596

3,4-epoxy-2-phenyl-1,1,1-trifluoro-2-butanol

Structural Information

Molecular Formula
C10H9F3O2
SMILES
C1C(O1)C(C2=CC=CC=C2)(C(F)(F)F)O
InChI
InChI=1S/C10H9F3O2/c11-10(12,13)9(14,8-6-15-8)7-4-2-1-3-5-7/h1-5,8,14H,6H2
InChIKey
ZVHBUEYSUVEOKE-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(oxiran-2-yl)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

218.05547 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.062746 135.0
[M+Na]+ 241.044688 144.3
[M-H]- 217.048194 138.3
[M+NH4]+ 236.089293 146.7
[M+K]+ 257.018628 142.3
[M+H-H2O]+ 201.052730 126.6
[M+HCOO]- 263.053671 151.7
[M+CH3COO]- 277.069321 185.9
[M+Na-2H]- 239.030136 143.8
[M]+ 218.05492142 133.7
[M]- 218.05601858 133.7
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