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 153.2
[M+Na]+ 287.01940 162.5
[M-H]- 263.02290 156.1
[M+NH4]+ 282.06400 167.0
[M+K]+ 302.99334 157.8
[M+H-H2O]+ 247.02744 145.1
[M+HCOO]- 309.02838 169.2
[M+CH3COO]- 323.04403 191.1
[M+Na-2H]- 285.00485 159.0
[M]+ 264.02963 156.5
[M]- 264.03073 156.5
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.