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

64
Patents

154.06055 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.06783 127.6
[M+Na]+ 177.04977 134.4
[M-H]- 153.05327 126.3
[M+NH4]+ 172.09437 141.8
[M+K]+ 193.02371 135.7
[M+H-H2O]+ 137.05781 116.4
[M+HCOO]- 199.05875 143.9
[M+CH3COO]- 213.07440 177.2
[M+Na-2H]- 175.03522 132.1
[M]+ 154.06000 130.4
[M]- 154.06110 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