CID 45036851

3-(6-chloropyridazin-3-yl)benzoic acid

Structural Information

Molecular Formula
C11H7ClN2O2
SMILES
C1=CC(=CC(=C1)C(=O)O)C2=NN=C(C=C2)Cl
InChI
InChI=1S/C11H7ClN2O2/c12-10-5-4-9(13-14-10)7-2-1-3-8(6-7)11(15)16/h1-6H,(H,15,16)
InChIKey
UNZBOMFXUMHBFC-UHFFFAOYSA-N
Compound name
3-(6-chloropyridazin-3-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

234.0196 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.02688 147.3
[M+Na]+ 257.00882 163.3
[M+NH4]+ 252.05342 155.2
[M+K]+ 272.98276 156.3
[M-H]- 233.01232 150.0
[M+Na-2H]- 254.99427 156.6
[M]+ 234.01905 150.7
[M]- 234.02015 150.7
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

patents stripe