CID 25152

Disperse yellow 64

Structural Information

Molecular Formula
C18H10BrNO3
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)C3=NC4=CC=CC=C4C(=C3O)Br
InChI
InChI=1S/C18H10BrNO3/c19-14-11-7-3-4-8-12(11)20-15(18(14)23)13-16(21)9-5-1-2-6-10(9)17(13)22/h1-8,13,23H
InChIKey
DVBLPJWQXDCAKU-UHFFFAOYSA-N
Compound name
2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

781
Patents

366.9844 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.99168 178.0
[M+Na]+ 389.97362 191.6
[M-H]- 365.97712 187.4
[M+NH4]+ 385.01822 196.3
[M+K]+ 405.94756 178.8
[M+H-H2O]+ 349.98166 177.2
[M+HCOO]- 411.98260 195.4
[M+CH3COO]- 425.99825 191.5
[M+Na-2H]- 387.95907 182.0
[M]+ 366.98385 197.6
[M]- 366.98495 197.6
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