CID 155970458

2639450-80-7

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]+ 183.062746 139.9
[M+Na]+ 205.044688 147.4
[M-H]- 181.048194 137.3
[M+NH4]+ 200.089293 160.7
[M+K]+ 221.018628 148.8
[M+H-H2O]+ 165.052730 132.9
[M+HCOO]- 227.053671 152.3
[M+CH3COO]- 241.069321 182.3
[M+Na-2H]- 203.030136 147.9
[M]+ 182.05492142 149.4
[M]- 182.05601858 149.4
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.