CID 80518223

3-[(4-chlorophenyl)methoxy]pyridazine-4-carboxylic acid

Structural Information

Molecular Formula
C12H9ClN2O3
SMILES
C1=CC(=CC=C1COC2=C(C=CN=N2)C(=O)O)Cl
InChI
InChI=1S/C12H9ClN2O3/c13-9-3-1-8(2-4-9)7-18-11-10(12(16)17)5-6-14-15-11/h1-6H,7H2,(H,16,17)
InChIKey
UGGPQMYQQNNLDF-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)methoxy]pyridazine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.03018 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.03746 154.8
[M+Na]+ 287.01940 170.0
[M+NH4]+ 282.06400 161.9
[M+K]+ 302.99334 163.4
[M-H]- 263.02290 157.0
[M+Na-2H]- 285.00485 163.4
[M]+ 264.02963 157.8
[M]- 264.03073 157.8
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.