CID 68776020

6-phenylpyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C11H8N2O2
SMILES
C1=CC=C(C=C1)C2=NN=C(C=C2)C(=O)O
InChI
InChI=1S/C11H8N2O2/c14-11(15)10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H,(H,14,15)
InChIKey
VHEYTABSZVILNN-UHFFFAOYSA-N
Compound name
6-phenylpyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

200.05858 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06586 141.1
[M+Na]+ 223.04780 149.5
[M-H]- 199.05130 144.1
[M+NH4]+ 218.09240 156.4
[M+K]+ 239.02174 145.9
[M+H-H2O]+ 183.05584 132.8
[M+HCOO]- 245.05678 161.9
[M+CH3COO]- 259.07243 181.1
[M+Na-2H]- 221.03325 148.6
[M]+ 200.05803 140.1
[M]- 200.05913 140.1
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