CID 146050055

3-bromo-1-methoxy-1-(trifluoromethyl)cyclobutane

Structural Information

Molecular Formula
C6H8BrF3O
SMILES
COC1(CC(C1)Br)C(F)(F)F
InChI
InChI=1S/C6H8BrF3O/c1-11-5(6(8,9)10)2-4(7)3-5/h4H,2-3H2,1H3
InChIKey
FMWBOPHLDDTOAJ-UHFFFAOYSA-N
Compound name
3-bromo-1-methoxy-1-(trifluoromethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.97105 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97833 135.4
[M+Na]+ 254.96027 146.7
[M-H]- 230.96377 138.6
[M+NH4]+ 250.00487 153.1
[M+K]+ 270.93421 139.5
[M+H-H2O]+ 214.96831 131.3
[M+HCOO]- 276.96925 151.3
[M+CH3COO]- 290.98490 189.3
[M+Na-2H]- 252.94572 142.8
[M]+ 231.97050 158.0
[M]- 231.97160 158.0
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.