CID 66583012

[1-(trifluoromethyl)cyclobutyl]methanol

Structural Information

Molecular Formula
C6H9F3O
SMILES
C1CC(C1)(CO)C(F)(F)F
InChI
InChI=1S/C6H9F3O/c7-6(8,9)5(4-10)2-1-3-5/h10H,1-4H2
InChIKey
UQSIEHVSHVIAPB-UHFFFAOYSA-N
Compound name
[1-(trifluoromethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

154.06055 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.067826 129.3
[M+Na]+ 177.049768 136.1
[M-H]- 153.053274 128.1
[M+NH4]+ 172.094373 145.2
[M+K]+ 193.023708 137.4
[M+H-H2O]+ 137.057810 119.2
[M+HCOO]- 199.058751 145.6
[M+CH3COO]- 213.074401 175.6
[M+Na-2H]- 175.035216 135.5
[M]+ 154.06000142 132.1
[M]- 154.06109858 132.1
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