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

14
Patents

166.06055 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06783 154.9
[M+Na]+ 189.04977 160.2
[M-H]- 165.05327 154.9
[M+NH4]+ 184.09437 161.3
[M+K]+ 205.02371 164.5
[M+H-H2O]+ 149.05781 142.0
[M+HCOO]- 211.05875 164.2
[M+CH3COO]- 225.07440 204.9
[M+Na-2H]- 187.03522 161.2
[M]+ 166.06000 176.0
[M]- 166.06110 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