CID 116818

70701-76-7

Structural Information

Molecular Formula
C18H9Br2NO3
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)C3=NC4=C(C(=CC=C4)Br)C(=C3O)Br
InChI
InChI=1S/C18H9Br2NO3/c19-10-6-3-7-11-12(10)14(20)18(24)15(21-11)13-16(22)8-4-1-2-5-9(8)17(13)23/h1-7,13,24H
InChIKey
FXYCRHTTXGCOSV-UHFFFAOYSA-N
Compound name
2-(4,5-dibromo-3-hydroxyquinolin-2-yl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

444.89493 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.90221 176.9
[M+Na]+ 467.88415 188.7
[M-H]- 443.88765 186.0
[M+NH4]+ 462.92875 192.9
[M+K]+ 483.85809 173.7
[M+H-H2O]+ 427.89219 184.6
[M+HCOO]- 489.89313 189.5
[M+CH3COO]- 503.90878 189.2
[M+Na-2H]- 465.86960 180.1
[M]+ 444.89438 211.7
[M]- 444.89548 211.7
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.