CID 286544

Nsc145000

Structural Information

Molecular Formula
C8H4Br2N2O
SMILES
C1=C(C=C(C2=C1C(=O)C=NN2)Br)Br
InChI
InChI=1S/C8H4Br2N2O/c9-4-1-5-7(13)3-11-12-8(5)6(10)2-4/h1-3H,(H,12,13)
InChIKey
ZPGZUQYUALVEMZ-UHFFFAOYSA-N
Compound name
6,8-dibromo-1H-cinnolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.86905 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.87633 133.6
[M+Na]+ 324.85827 146.3
[M-H]- 300.86177 138.6
[M+NH4]+ 319.90287 151.3
[M+K]+ 340.83221 130.5
[M+H-H2O]+ 284.86631 142.1
[M+HCOO]- 346.86725 147.8
[M+CH3COO]- 360.88290 148.0
[M+Na-2H]- 322.84372 143.5
[M]+ 301.86850 167.4
[M]- 301.86960 167.4
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.