CID 24252572

853318-09-9

Structural Information

Molecular Formula
C12H9FN2O3
SMILES
C1=CC(=CC=C1C2=NN(C(=O)C=C2)CC(=O)O)F
InChI
InChI=1S/C12H9FN2O3/c13-9-3-1-8(2-4-9)10-5-6-11(16)15(14-10)7-12(17)18/h1-6H,7H2,(H,17,18)
InChIKey
MWWPTWKMWCATES-UHFFFAOYSA-N
Compound name
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.05972 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.06700 153.2
[M+Na]+ 271.04894 166.8
[M+NH4]+ 266.09354 158.8
[M+K]+ 287.02288 161.2
[M-H]- 247.05244 153.4
[M+Na-2H]- 269.03439 160.3
[M]+ 248.05917 154.9
[M]- 248.06027 154.9
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.