CID 155970458

[3-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol

Structural Information

Molecular Formula
C7H9F3O2
SMILES
C1C2CC1(OC2C(F)(F)F)CO
InChI
InChI=1S/C7H9F3O2/c8-7(9,10)5-4-1-6(2-4,3-11)12-5/h4-5,11H,1-3H2
InChIKey
WNWIXSGXSRGRAX-UHFFFAOYSA-N
Compound name
[3-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.05547 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06275 137.4
[M+Na]+ 205.04469 138.7
[M+NH4]+ 200.08929 141.9
[M+K]+ 221.01863 138.4
[M-H]- 181.04819 129.2
[M+Na-2H]- 203.03014 132.8
[M]+ 182.05492 134.0
[M]- 182.05602 134.0
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

No patent data available for this compound.