CID 3074577

159831-72-8

Structural Information

Molecular Formula
C9H6ClFN4O
SMILES
C1=C2C(=CC(=C1F)Cl)N=NC(=C2N)C(=O)N
InChI
InChI=1S/C9H6ClFN4O/c10-4-2-6-3(1-5(4)11)7(12)8(9(13)16)15-14-6/h1-2H,(H2,12,14)(H2,13,16)
InChIKey
ISONHGCOBHHRMJ-UHFFFAOYSA-N
Compound name
4-amino-7-chloro-6-fluorocinnoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

240.02142 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02870 147.6
[M+Na]+ 263.01064 159.3
[M-H]- 239.01414 148.2
[M+NH4]+ 258.05524 164.0
[M+K]+ 278.98458 153.8
[M+H-H2O]+ 223.01868 140.2
[M+HCOO]- 285.01962 164.0
[M+CH3COO]- 299.03527 196.1
[M+Na-2H]- 260.99609 152.7
[M]+ 240.02087 146.7
[M]- 240.02197 146.7
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