CID 124179274

[3-(trifluoromethyl)cyclobutyl]methanol

Structural Information

Molecular Formula
C6H9F3O
SMILES
C1C(CC1C(F)(F)F)CO
InChI
InChI=1S/C6H9F3O/c7-6(8,9)5-1-4(2-5)3-10/h4-5,10H,1-3H2
InChIKey
XBUQANULLSLVTC-UHFFFAOYSA-N
Compound name
[3-(trifluoromethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

154.06055 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.067826 127.6
[M+Na]+ 177.049768 134.4
[M-H]- 153.053274 126.3
[M+NH4]+ 172.094373 141.8
[M+K]+ 193.023708 135.7
[M+H-H2O]+ 137.057810 116.4
[M+HCOO]- 199.058751 143.9
[M+CH3COO]- 213.074401 177.2
[M+Na-2H]- 175.035216 132.1
[M]+ 154.06000142 130.4
[M]- 154.06109858 130.4
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