CID 144161334

Ns00133212

Structural Information

Molecular Formula
C12H9F3N2O3
SMILES
C1=C2C(=C(C(=C1F)N)F)N(C=C(C2=O)C(=O)O)CCF
InChI
InChI=1S/C12H9F3N2O3/c13-1-2-17-4-6(12(19)20)11(18)5-3-7(14)9(16)8(15)10(5)17/h3-4H,1-2,16H2,(H,19,20)
InChIKey
HVUREYZFXXOPDW-UHFFFAOYSA-N
Compound name
7-amino-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.05652 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.063796 157.5
[M+Na]+ 309.045738 169.5
[M-H]- 285.049244 156.4
[M+NH4]+ 304.090343 172.6
[M+K]+ 325.019678 164.4
[M+H-H2O]+ 269.053780 148.3
[M+HCOO]- 331.054721 175.1
[M+CH3COO]- 345.070371 203.5
[M+Na-2H]- 307.031186 159.0
[M]+ 286.05597142 155.5
[M]- 286.05706858 155.5
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.