CID 495817

161373-46-2

Structural Information

Molecular Formula
C9H6ClN3O2
SMILES
C1=CC2=C(C=C1Cl)C(=C(N=N2)C(=O)O)N
InChI
InChI=1S/C9H6ClN3O2/c10-4-1-2-6-5(3-4)7(11)8(9(14)15)13-12-6/h1-3H,(H2,11,12)(H,14,15)
InChIKey
HAKAGWNOVFLFAZ-UHFFFAOYSA-N
Compound name
4-amino-6-chlorocinnoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.01485 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.02213 143.0
[M+Na]+ 246.00407 154.1
[M-H]- 222.00757 143.9
[M+NH4]+ 241.04867 159.7
[M+K]+ 261.97801 149.1
[M+H-H2O]+ 206.01211 136.7
[M+HCOO]- 268.01305 158.8
[M+CH3COO]- 282.02870 187.4
[M+Na-2H]- 243.98952 149.8
[M]+ 223.01430 144.0
[M]- 223.01540 144.0
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.