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

125
Patents

154.06055 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.06783 129.3
[M+Na]+ 177.04977 136.1
[M-H]- 153.05327 128.1
[M+NH4]+ 172.09437 145.2
[M+K]+ 193.02371 137.4
[M+H-H2O]+ 137.05781 119.2
[M+HCOO]- 199.05875 145.6
[M+CH3COO]- 213.07440 175.6
[M+Na-2H]- 175.03522 135.5
[M]+ 154.06000 132.1
[M]- 154.06110 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