CID 165941803

1-bromo-4-[1-(trifluoromethyl)cyclobutyl]benzene

Structural Information

Molecular Formula
C11H10BrF3
SMILES
C1CC(C1)(C2=CC=C(C=C2)Br)C(F)(F)F
InChI
InChI=1S/C11H10BrF3/c12-9-4-2-8(3-5-9)10(6-1-7-10)11(13,14)15/h2-5H,1,6-7H2
InChIKey
WKLDIOZKVSRVKS-UHFFFAOYSA-N
Compound name
1-bromo-4-[1-(trifluoromethyl)cyclobutyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.9918 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.99908 148.5
[M+Na]+ 300.98102 159.5
[M-H]- 276.98452 154.3
[M+NH4]+ 296.02562 164.4
[M+K]+ 316.95496 150.6
[M+H-H2O]+ 260.98906 143.3
[M+HCOO]- 322.99000 164.3
[M+CH3COO]- 337.00565 196.8
[M+Na-2H]- 298.96647 155.5
[M]+ 277.99125 169.7
[M]- 277.99235 169.7
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

No patent data available for this compound.