CID 381986

Nsc669309

Structural Information

Molecular Formula
C9H7FN4O
SMILES
C1=CC2=C(C(=NN=C2C(=C1)F)C(=O)N)N
InChI
InChI=1S/C9H7FN4O/c10-5-3-1-2-4-6(11)8(9(12)15)14-13-7(4)5/h1-3H,(H2,11,13)(H2,12,15)
InChIKey
VNANNRHUYOTKCV-UHFFFAOYSA-N
Compound name
4-amino-8-fluorocinnoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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

patents stripe