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

0
Patents

245.98557 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.99285 137.0
[M+Na]+ 268.97479 148.7
[M-H]- 244.97829 144.3
[M+NH4]+ 264.01939 154.3
[M+K]+ 284.94873 140.2
[M+H-H2O]+ 228.98283 132.5
[M+HCOO]- 290.98377 155.6
[M+CH3COO]- 304.99942 192.9
[M+Na-2H]- 266.96024 144.3
[M]+ 245.98502 159.9
[M]- 245.98612 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

No patent data available for this compound.