CID 461801

161373-48-4

Structural Information

Molecular Formula
C9H5Cl2N3O2
SMILES
C1=C2C(=CC(=C1Cl)Cl)N=NC(=C2N)C(=O)O
InChI
InChI=1S/C9H5Cl2N3O2/c10-4-1-3-6(2-5(4)11)13-14-8(7(3)12)9(15)16/h1-2H,(H2,12,13)(H,15,16)
InChIKey
IMBXVSYZRSVZCD-UHFFFAOYSA-N
Compound name
4-amino-6,7-dichlorocinnoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.9759 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.983176 147.9
[M+Na]+ 279.965118 160.1
[M-H]- 255.968624 148.4
[M+NH4]+ 275.009723 164.0
[M+K]+ 295.939058 154.1
[M+H-H2O]+ 239.973160 142.6
[M+HCOO]- 301.974101 158.6
[M+CH3COO]- 315.989751 193.2
[M+Na-2H]- 277.950566 153.2
[M]+ 256.97535142 150.4
[M]- 256.97644858 150.4
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.