CID 57445156

1-(trifluoromethyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C5H7F3O
SMILES
C1CC(C1)(C(F)(F)F)O
InChI
InChI=1S/C5H7F3O/c6-5(7,8)4(9)2-1-3-4/h9H,1-3H2
InChIKey
LAVGIFVKTRAAKV-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

140.0449 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05218 137.2
[M+Na]+ 163.03412 140.7
[M+NH4]+ 158.07872 140.9
[M+K]+ 179.00806 136.4
[M-H]- 139.03762 130.9
[M+Na-2H]- 161.01957 138.7
[M]+ 140.04435 134.7
[M]- 140.04545 134.7
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