CID 204768

1,3-indandione, 2-bromo-2-(1-naphthyl)-

Structural Information

Molecular Formula
C19H11BrO2
SMILES
C1=CC=C2C(=C1)C=CC=C2C3(C(=O)C4=CC=CC=C4C3=O)Br
InChI
InChI=1S/C19H11BrO2/c20-19(16-11-5-7-12-6-1-2-8-13(12)16)17(21)14-9-3-4-10-15(14)18(19)22/h1-11H
InChIKey
AQFCDQTVDRUSRC-UHFFFAOYSA-N
Compound name
2-bromo-2-naphthalen-1-ylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

349.99423 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.00151 176.1
[M+Na]+ 372.98345 189.6
[M-H]- 348.98695 187.7
[M+NH4]+ 368.02805 198.5
[M+K]+ 388.95739 176.8
[M+H-H2O]+ 332.99149 175.8
[M+HCOO]- 394.99243 195.9
[M+CH3COO]- 409.00808 190.5
[M+Na-2H]- 370.96890 182.0
[M]+ 349.99368 195.5
[M]- 349.99478 195.5
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