CID 381985

4-amino-7-fluorocinnoline-3-carboxamide

Structural Information

Molecular Formula
C9H7FN4O
SMILES
C1=CC2=C(C=C1F)N=NC(=C2N)C(=O)N
InChI
InChI=1S/C9H7FN4O/c10-4-1-2-5-6(3-4)13-14-8(7(5)11)9(12)15/h1-3H,(H2,11,13)(H2,12,15)
InChIKey
NAUNPZJPVGALTJ-UHFFFAOYSA-N
Compound name
4-amino-7-fluorocinnoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0604 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06768 141.4
[M+Na]+ 229.04962 151.5
[M-H]- 205.05312 141.9
[M+NH4]+ 224.09422 158.0
[M+K]+ 245.02356 147.5
[M+H-H2O]+ 189.05766 133.0
[M+HCOO]- 251.05860 162.4
[M+CH3COO]- 265.07425 191.1
[M+Na-2H]- 227.03507 147.8
[M]+ 206.05985 138.0
[M]- 206.06095 138.0
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

No patent data available for this compound.