CID 155943403

2613384-60-2

Structural Information

Molecular Formula
C8H11F3O2
SMILES
C1CC2CC1C(O2)(CO)C(F)(F)F
InChI
InChI=1S/C8H11F3O2/c9-8(10,11)7(4-12)5-1-2-6(3-5)13-7/h5-6,12H,1-4H2
InChIKey
AAKRVECLNIUZEX-UHFFFAOYSA-N
Compound name
[3-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.07112 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07840 137.9
[M+Na]+ 219.06034 146.4
[M-H]- 195.06384 136.4
[M+NH4]+ 214.10494 162.5
[M+K]+ 235.03428 145.0
[M+H-H2O]+ 179.06838 133.3
[M+HCOO]- 241.06932 152.8
[M+CH3COO]- 255.08497 178.5
[M+Na-2H]- 217.04579 143.3
[M]+ 196.07057 133.7
[M]- 196.07167 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

No patent data available for this compound.