CID 146155869

2416237-26-6

Structural Information

Molecular Formula
C6H8BrF3O
SMILES
C1C(CC1(C(F)(F)F)O)CBr
InChI
InChI=1S/C6H8BrF3O/c7-3-4-1-5(11,2-4)6(8,9)10/h4,11H,1-3H2
InChIKey
JYDZMKIFVJRAGO-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1-(trifluoromethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.97105 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97833 137.3
[M+Na]+ 254.96027 148.1
[M-H]- 230.96377 139.1
[M+NH4]+ 250.00487 154.2
[M+K]+ 270.93421 140.0
[M+H-H2O]+ 214.96831 133.2
[M+HCOO]- 276.96925 151.7
[M+CH3COO]- 290.98490 186.8
[M+Na-2H]- 252.94572 144.0
[M]+ 231.97050 158.1
[M]- 231.97160 158.1
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

No patent data available for this compound.