CID 115046002

1-bromo-3-(3,3-difluorocyclobutyl)benzene

Structural Information

Molecular Formula
C10H9BrF2
SMILES
C1C(CC1(F)F)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H9BrF2/c11-9-3-1-2-7(4-9)8-5-10(12,13)6-8/h1-4,8H,5-6H2
InChIKey
HJPPMYUYZKVEGP-UHFFFAOYSA-N
Compound name
1-bromo-3-(3,3-difluorocyclobutyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

245.98557 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.992846 137.0
[M+Na]+ 268.974788 148.7
[M-H]- 244.978294 144.3
[M+NH4]+ 264.019393 154.3
[M+K]+ 284.948728 140.2
[M+H-H2O]+ 228.982830 132.5
[M+HCOO]- 290.983771 155.6
[M+CH3COO]- 304.999421 192.9
[M+Na-2H]- 266.960236 144.3
[M]+ 245.98502142 159.9
[M]- 245.98611858 159.9
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

patents stripe