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]+ 193.04079 135.8
[M+Na]+ 215.02273 146.1
[M-H]- 191.02623 135.6
[M+NH4]+ 210.06733 153.1
[M+K]+ 230.99667 142.6
[M+H-H2O]+ 175.03077 127.8
[M+HCOO]- 237.03171 154.7
[M+CH3COO]- 251.04736 180.6
[M+Na-2H]- 213.00818 143.7
[M]+ 192.03296 134.9
[M]- 192.03406 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.