CID 146155730

2384784-97-6

Structural Information

Molecular Formula
C7H9F3O
SMILES
C1C2(CC1(C2)C(F)(F)F)CO
InChI
InChI=1S/C7H9F3O/c8-7(9,10)6-1-5(2-6,3-6)4-11/h11H,1-4H2
InChIKey
ZGRANUGXRWNZJV-UHFFFAOYSA-N
Compound name
[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

166.06055 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.067826 154.9
[M+Na]+ 189.049768 160.2
[M-H]- 165.053274 154.9
[M+NH4]+ 184.094373 161.3
[M+K]+ 205.023708 164.5
[M+H-H2O]+ 149.057810 142.0
[M+HCOO]- 211.058751 164.2
[M+CH3COO]- 225.074401 204.9
[M+Na-2H]- 187.035216 161.2
[M]+ 166.06000142 176.0
[M]- 166.06109858 176.0
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

patents stripe