CID 3074776

161373-45-1

Structural Information

Molecular Formula
C9H6FN3O2
SMILES
C1=CC2=C(C(=NN=C2C(=C1)F)C(=O)O)N
InChI
InChI=1S/C9H6FN3O2/c10-5-3-1-2-4-6(11)8(9(14)15)13-12-7(4)5/h1-3H,(H2,11,12)(H,14,15)
InChIKey
NOIHXHCMSBSYKZ-UHFFFAOYSA-N
Compound name
4-amino-8-fluorocinnoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.0444 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05168 140.5
[M+Na]+ 230.03362 151.0
[M-H]- 206.03712 140.3
[M+NH4]+ 225.07822 157.0
[M+K]+ 246.00756 147.1
[M+H-H2O]+ 190.04166 132.5
[M+HCOO]- 252.04260 159.8
[M+CH3COO]- 266.05825 186.3
[M+Na-2H]- 228.01907 147.1
[M]+ 207.04385 138.4
[M]- 207.04495 138.4
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.