CID 86114324

[4-(trifluoromethyl)bicyclo[2.2.2]octan-1-yl]methanol

Structural Information

Molecular Formula
C10H15F3O
SMILES
C1CC2(CCC1(CC2)CO)C(F)(F)F
InChI
InChI=1S/C10H15F3O/c11-10(12,13)9-4-1-8(7-14,2-5-9)3-6-9/h14H,1-7H2
InChIKey
RSXLNNJTFYAAAV-UHFFFAOYSA-N
Compound name
[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

208.1075 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11478 150.8
[M+Na]+ 231.09672 156.3
[M-H]- 207.10022 142.6
[M+NH4]+ 226.14132 177.1
[M+K]+ 247.07066 152.6
[M+H-H2O]+ 191.10476 144.5
[M+HCOO]- 253.10570 156.4
[M+CH3COO]- 267.12135 186.3
[M+Na-2H]- 229.08217 162.0
[M]+ 208.10695 146.3
[M]- 208.10805 146.3
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