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

21
Patents

268.0099 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.01718 143.0
[M+Na]+ 290.99912 151.5
[M-H]- 267.00262 151.5
[M+NH4]+ 286.04372 156.9
[M+K]+ 306.97306 144.3
[M+H-H2O]+ 251.00716 137.9
[M+HCOO]- 313.00810 162.3
[M+CH3COO]- 327.02375 196.4
[M+Na-2H]- 288.98457 149.0
[M]+ 268.00935 169.1
[M]- 268.01045 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