CID 124706605

4-bromo-6-methoxy-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula
C10H9BrO2
SMILES
COC1=CC2=C(CCC2=O)C(=C1)Br
InChI
InChI=1S/C10H9BrO2/c1-13-6-4-8-7(9(11)5-6)2-3-10(8)12/h4-5H,2-3H2,1H3
InChIKey
VIDXHBZUGHZQPG-UHFFFAOYSA-N
Compound name
4-bromo-6-methoxy-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.97859 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.98587 144.9
[M+Na]+ 262.96781 158.2
[M-H]- 238.97131 152.7
[M+NH4]+ 258.01241 169.4
[M+K]+ 278.94175 147.6
[M+H-H2O]+ 222.97585 146.0
[M+HCOO]- 284.97679 166.4
[M+CH3COO]- 298.99244 188.8
[M+Na-2H]- 260.95326 151.0
[M]+ 239.97804 165.0
[M]- 239.97914 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

No patent data available for this compound.