CID 162345233

Ns00133209

Structural Information

Molecular Formula
C9H5ClF2N2O
SMILES
C1=CNC2=C(C1=O)C(=C(C(=C2F)N)F)Cl
InChI
InChI=1S/C9H5ClF2N2O/c10-5-4-3(15)1-2-14-9(4)7(12)8(13)6(5)11/h1-2H,13H2,(H,14,15)
InChIKey
JJAJKSQFNYOFBF-UHFFFAOYSA-N
Compound name
7-amino-5-chloro-6,8-difluoro-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.00584 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.013116 141.1
[M+Na]+ 252.995058 154.6
[M-H]- 228.998564 141.2
[M+NH4]+ 248.039663 159.6
[M+K]+ 268.968998 147.7
[M+H-H2O]+ 213.003100 134.4
[M+HCOO]- 275.004041 156.8
[M+CH3COO]- 289.019691 189.5
[M+Na-2H]- 250.980506 146.2
[M]+ 230.00529142 139.5
[M]- 230.00638858 139.5
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.