CID 154577257

2741312-66-1

Structural Information

Molecular Formula
C6H8BrF3
SMILES
C1C[C@H]([C@@H]1CBr)C(F)(F)F
InChI
InChI=1S/C6H8BrF3/c7-3-4-1-2-5(4)6(8,9)10/h4-5H,1-3H2/t4-,5+/m0/s1
InChIKey
RCOZPQYGFWPSCP-CRCLSJGQSA-N
Compound name
(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.97615 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98343 133.5
[M+Na]+ 238.96537 144.2
[M-H]- 214.96887 136.3
[M+NH4]+ 234.00997 149.9
[M+K]+ 254.93931 136.4
[M+H-H2O]+ 198.97341 128.1
[M+HCOO]- 260.97435 149.1
[M+CH3COO]- 274.99000 188.0
[M+Na-2H]- 236.95082 139.7
[M]+ 215.97560 154.3
[M]- 215.97670 154.3
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.