CID 122242781

2-(3-bromophenyl)cyclobutan-1-one

Structural Information

Molecular Formula
C10H9BrO
SMILES
C1CC(=O)C1C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H9BrO/c11-8-3-1-2-7(6-8)9-4-5-10(9)12/h1-3,6,9H,4-5H2
InChIKey
LRENYOPIBCLDFZ-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.98367 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.990946 129.0
[M+Na]+ 246.972888 139.8
[M-H]- 222.976394 138.4
[M+NH4]+ 242.017493 145.2
[M+K]+ 262.946828 132.2
[M+H-H2O]+ 206.980930 125.0
[M+HCOO]- 268.981871 149.8
[M+CH3COO]- 282.997521 189.4
[M+Na-2H]- 244.958336 136.9
[M]+ 223.98312142 154.3
[M]- 223.98421858 154.3
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.