CID 62392938

1-[5-bromo-2-(cyclopentyloxy)phenyl]ethan-1-one

Structural Information

Molecular Formula
C13H15BrO2
SMILES
CC(=O)C1=C(C=CC(=C1)Br)OC2CCCC2
InChI
InChI=1S/C13H15BrO2/c1-9(15)12-8-10(14)6-7-13(12)16-11-4-2-3-5-11/h6-8,11H,2-5H2,1H3
InChIKey
GEDAVYHUTXEPTN-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-cyclopentyloxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

282.02554 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.032816 160.0
[M+Na]+ 305.014758 169.8
[M-H]- 281.018264 168.9
[M+NH4]+ 300.059363 181.2
[M+K]+ 320.988698 159.3
[M+H-H2O]+ 265.022800 159.9
[M+HCOO]- 327.023741 179.8
[M+CH3COO]- 341.039391 195.5
[M+Na-2H]- 303.000206 162.4
[M]+ 282.02499142 177.6
[M]- 282.02608858 177.6
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