CID 22278718

5-bromo-6-methoxy-1-indanone

Structural Information

Molecular Formula
C10H9BrO2
SMILES
COC1=C(C=C2CCC(=O)C2=C1)Br
InChI
InChI=1S/C10H9BrO2/c1-13-10-5-7-6(4-8(10)11)2-3-9(7)12/h4-5H,2-3H2,1H3
InChIKey
UOPZFPWKIZTDRV-UHFFFAOYSA-N
Compound name
5-bromo-6-methoxy-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

239.97859 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.985866 144.9
[M+Na]+ 262.967808 158.2
[M-H]- 238.971314 152.7
[M+NH4]+ 258.012413 169.4
[M+K]+ 278.941748 147.6
[M+H-H2O]+ 222.975850 146.0
[M+HCOO]- 284.976791 166.4
[M+CH3COO]- 298.992441 188.8
[M+Na-2H]- 260.953256 151.0
[M]+ 239.97804142 165.0
[M]- 239.97913858 165.0
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