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]+ 261.00850 141.9
[M+Na]+ 282.99044 153.3
[M-H]- 258.99394 149.2
[M+NH4]+ 278.03504 160.3
[M+K]+ 298.96438 144.6
[M+H-H2O]+ 242.99848 138.2
[M+HCOO]- 304.99942 160.3
[M+CH3COO]- 319.01507 194.4
[M+Na-2H]- 280.97589 150.2
[M]+ 260.00067 165.3
[M]- 260.00177 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.