CID 290086

4-bromo-6,7-dimethoxy-1-indanone

Structural Information

Molecular Formula
C11H11BrO3
SMILES
COC1=CC(=C2CCC(=O)C2=C1OC)Br
InChI
InChI=1S/C11H11BrO3/c1-14-9-5-7(12)6-3-4-8(13)10(6)11(9)15-2/h5H,3-4H2,1-2H3
InChIKey
ACPYISCUOAQRMS-UHFFFAOYSA-N
Compound name
4-bromo-6,7-dimethoxy-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

269.98917 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.99645 151.5
[M+Na]+ 292.97839 165.0
[M-H]- 268.98189 159.3
[M+NH4]+ 288.02299 175.0
[M+K]+ 308.95233 154.6
[M+H-H2O]+ 252.98643 152.3
[M+HCOO]- 314.98737 172.8
[M+CH3COO]- 329.00302 194.7
[M+Na-2H]- 290.96384 156.5
[M]+ 269.98862 173.5
[M]- 269.98972 173.5
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