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

45
Patents

218.05547 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06275 135.0
[M+Na]+ 241.04469 144.3
[M-H]- 217.04819 138.3
[M+NH4]+ 236.08929 146.7
[M+K]+ 257.01863 142.3
[M+H-H2O]+ 201.05273 126.6
[M+HCOO]- 263.05367 151.7
[M+CH3COO]- 277.06932 185.9
[M+Na-2H]- 239.03014 143.8
[M]+ 218.05492 133.7
[M]- 218.05602 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