CID 90908196

2-bromo-1-[3-(cyclopentyloxy)phenyl]ethan-1-one

Structural Information

Molecular Formula
C13H15BrO2
SMILES
C1CCC(C1)OC2=CC=CC(=C2)C(=O)CBr
InChI
InChI=1S/C13H15BrO2/c14-9-13(15)10-4-3-7-12(8-10)16-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9H2
InChIKey
WSNTXTKLOUFAST-UHFFFAOYSA-N
Compound name
2-bromo-1-(3-cyclopentyloxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

282.02554 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03282 160.8
[M+Na]+ 305.01476 169.8
[M-H]- 281.01826 169.3
[M+NH4]+ 300.05936 181.7
[M+K]+ 320.98870 159.2
[M+H-H2O]+ 265.02280 160.4
[M+HCOO]- 327.02374 180.6
[M+CH3COO]- 341.03939 194.5
[M+Na-2H]- 303.00021 163.7
[M]+ 282.02499 178.0
[M]- 282.02609 178.0
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