CID 62392938

Schembl1136287

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

23
Patents

282.02554 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03282 160.0
[M+Na]+ 305.01476 169.8
[M-H]- 281.01826 168.9
[M+NH4]+ 300.05936 181.2
[M+K]+ 320.98870 159.3
[M+H-H2O]+ 265.02280 159.9
[M+HCOO]- 327.02374 179.8
[M+CH3COO]- 341.03939 195.5
[M+Na-2H]- 303.00021 162.4
[M]+ 282.02499 177.6
[M]- 282.02609 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