CID 145867447

[1-(bromomethyl)-3,3-difluorocyclobutyl]benzene

Structural Information

Molecular Formula
C11H11BrF2
SMILES
C1C(CC1(F)F)(CBr)C2=CC=CC=C2
InChI
InChI=1S/C11H11BrF2/c12-8-10(6-11(13,14)7-10)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
BXGDPCZLRAZUHC-UHFFFAOYSA-N
Compound name
[1-(bromomethyl)-3,3-difluorocyclobutyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.00122 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.008496 141.9
[M+Na]+ 282.990438 153.3
[M-H]- 258.993944 149.2
[M+NH4]+ 278.035043 160.3
[M+K]+ 298.964378 144.6
[M+H-H2O]+ 242.998480 138.2
[M+HCOO]- 304.999421 160.3
[M+CH3COO]- 319.015071 194.4
[M+Na-2H]- 280.975886 150.2
[M]+ 260.00067142 165.3
[M]- 260.00176858 165.3
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.