CID 83877898

7-fluorocinnoline-3-carboxylic acid

Structural Information

Molecular Formula
C9H5FN2O2
SMILES
C1=CC(=CC2=NN=C(C=C21)C(=O)O)F
InChI
InChI=1S/C9H5FN2O2/c10-6-2-1-5-3-8(9(13)14)12-11-7(5)4-6/h1-4H,(H,13,14)
InChIKey
UVKIVFWJRCOJFT-UHFFFAOYSA-N
Compound name
7-fluorocinnoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.03351 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.040786 135.8
[M+Na]+ 215.022728 146.1
[M-H]- 191.026234 135.6
[M+NH4]+ 210.067333 153.1
[M+K]+ 230.996668 142.6
[M+H-H2O]+ 175.030770 127.8
[M+HCOO]- 237.031711 154.7
[M+CH3COO]- 251.047361 180.6
[M+Na-2H]- 213.008176 143.7
[M]+ 192.03296142 134.9
[M]- 192.03405858 134.9
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.