CID 223379

4-bromo-7-methoxy-1-indanone

Structural Information

Molecular Formula
C10H9BrO2
SMILES
COC1=C2C(=C(C=C1)Br)CCC2=O
InChI
InChI=1S/C10H9BrO2/c1-13-9-5-3-7(11)6-2-4-8(12)10(6)9/h3,5H,2,4H2,1H3
InChIKey
OJDMKCLDADYDRL-UHFFFAOYSA-N
Compound name
4-bromo-7-methoxy-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

21
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

literature stripe

Patent stripe

patents stripe