CID 204766

16870-03-4

Structural Information

Molecular Formula
C19H11BrO2
SMILES
C1=CC=C2C=C(C=CC2=C1)C3C(=O)C4=C(C3=O)C=C(C=C4)Br
InChI
InChI=1S/C19H11BrO2/c20-14-7-8-15-16(10-14)19(22)17(18(15)21)13-6-5-11-3-1-2-4-12(11)9-13/h1-10,17H
InChIKey
HJFBKCKMFASWSP-UHFFFAOYSA-N
Compound name
5-bromo-2-naphthalen-2-ylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 176.5
[M+Na]+ 372.98345 189.8
[M-H]- 348.98695 188.1
[M+NH4]+ 368.02805 197.3
[M+K]+ 388.95739 177.0
[M+H-H2O]+ 332.99149 176.1
[M+HCOO]- 394.99243 196.2
[M+CH3COO]- 409.00808 190.7
[M+Na-2H]- 370.96890 180.8
[M]+ 349.99368 195.8
[M]- 349.99478 195.8
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.