CID 17750101

885267-15-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
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

No literature data available for this compound.

Patent stripe

patents stripe