CID 121208307

1-(bromomethyl)-1-(trifluoromethyl)cyclobutane

Structural Information

Molecular Formula
C6H8BrF3
SMILES
C1CC(C1)(CBr)C(F)(F)F
InChI
InChI=1S/C6H8BrF3/c7-4-5(2-1-3-5)6(8,9)10/h1-4H2
InChIKey
KJOOLAUGWOGQBR-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-(trifluoromethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.97615 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.983426 133.6
[M+Na]+ 238.965368 144.4
[M-H]- 214.968874 136.6
[M+NH4]+ 234.009973 151.7
[M+K]+ 254.939308 136.7
[M+H-H2O]+ 198.973410 129.6
[M+HCOO]- 260.974351 149.4
[M+CH3COO]- 274.990001 186.6
[M+Na-2H]- 236.950816 141.5
[M]+ 215.97560142 154.6
[M]- 215.97669858 154.6
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.