CID 495816

Nsc669308

Structural Information

Molecular Formula
C9H6F2N4O
SMILES
C1=C2C(=CC(=C1F)F)N=NC(=C2N)C(=O)N
InChI
InChI=1S/C9H6F2N4O/c10-4-1-3-6(2-5(4)11)14-15-8(7(3)12)9(13)16/h1-2H,(H2,12,14)(H2,13,16)
InChIKey
BGPGOGLEZQUOCF-UHFFFAOYSA-N
Compound name
4-amino-6,7-difluorocinnoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.05096 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.05824 144.7
[M+Na]+ 247.04018 155.8
[M-H]- 223.04368 144.2
[M+NH4]+ 242.08478 160.8
[M+K]+ 263.01412 151.3
[M+H-H2O]+ 207.04822 135.5
[M+HCOO]- 269.04916 164.6
[M+CH3COO]- 283.06481 195.1
[M+Na-2H]- 245.02563 149.7
[M]+ 224.05041 140.6
[M]- 224.05151 140.6
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.