CID 86067376

2-bromo-1-(3-cyclobutoxyphenyl)ethan-1-one

Structural Information

Molecular Formula
C12H13BrO2
SMILES
C1CC(C1)OC2=CC=CC(=C2)C(=O)CBr
InChI
InChI=1S/C12H13BrO2/c13-8-12(14)9-3-1-6-11(7-9)15-10-4-2-5-10/h1,3,6-7,10H,2,4-5,8H2
InChIKey
WAFZDILVLWQWKG-UHFFFAOYSA-N
Compound name
2-bromo-1-(3-cyclobutyloxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

268.0099 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.017176 143.0
[M+Na]+ 290.999118 151.5
[M-H]- 267.002624 151.5
[M+NH4]+ 286.043723 156.9
[M+K]+ 306.973058 144.3
[M+H-H2O]+ 251.007160 137.9
[M+HCOO]- 313.008101 162.3
[M+CH3COO]- 327.023751 196.4
[M+Na-2H]- 288.984566 149.0
[M]+ 268.00935142 169.1
[M]- 268.01044858 169.1
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