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 150.6
[M+Na]+ 271.04894 160.5
[M-H]- 247.05244 152.8
[M+NH4]+ 266.09354 164.4
[M+K]+ 287.02288 156.3
[M+H-H2O]+ 231.05698 141.3
[M+HCOO]- 293.05792 170.4
[M+CH3COO]- 307.07357 190.5
[M+Na-2H]- 269.03439 155.4
[M]+ 248.05917 150.4
[M]- 248.06027 150.4
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.