CID 4589695

3-(4-bromophenyl)cyclobutan-1-one

Structural Information

Molecular Formula
C10H9BrO
SMILES
C1C(CC1=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H9BrO/c11-9-3-1-7(2-4-9)8-5-10(12)6-8/h1-4,8H,5-6H2
InChIKey
FOQRHYVNXUDNKL-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

223.98367 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99095 129.0
[M+Na]+ 246.97289 139.8
[M-H]- 222.97639 138.4
[M+NH4]+ 242.01749 145.2
[M+K]+ 262.94683 132.2
[M+H-H2O]+ 206.98093 125.0
[M+HCOO]- 268.98187 149.8
[M+CH3COO]- 282.99752 189.4
[M+Na-2H]- 244.95834 136.9
[M]+ 223.98312 154.3
[M]- 223.98422 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

literature stripe

Patent stripe

patents stripe