CID 155943571

[3-(trifluoromethyl)-2-oxabicyclo[2.2.2]octan-3-yl]methanol

Structural Information

Molecular Formula
C9H13F3O2
SMILES
C1CC2CCC1C(O2)(CO)C(F)(F)F
InChI
InChI=1S/C9H13F3O2/c10-9(11,12)8(5-13)6-1-3-7(14-8)4-2-6/h6-7,13H,1-5H2
InChIKey
NFZIDGOZRTXTTD-UHFFFAOYSA-N
Compound name
[3-(trifluoromethyl)-2-oxabicyclo[2.2.2]octan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.08676 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09404 145.8
[M+Na]+ 233.07598 151.5
[M-H]- 209.07948 138.3
[M+NH4]+ 228.12058 169.1
[M+K]+ 249.04992 149.7
[M+H-H2O]+ 193.08402 139.7
[M+HCOO]- 255.08496 151.1
[M+CH3COO]- 269.10061 186.7
[M+Na-2H]- 231.06143 157.2
[M]+ 210.08621 143.0
[M]- 210.08731 143.0
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.