CID 12726812

3-chloro-6-(3-methoxyphenyl)pyridazine

Structural Information

Molecular Formula
C11H9ClN2O
SMILES
COC1=CC=CC(=C1)C2=NN=C(C=C2)Cl
InChI
InChI=1S/C11H9ClN2O/c1-15-9-4-2-3-8(7-9)10-5-6-11(12)14-13-10/h2-7H,1H3
InChIKey
SHTCMUJFWBYWLW-UHFFFAOYSA-N
Compound name
3-chloro-6-(3-methoxyphenyl)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

220.04034 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.047616 143.9
[M+Na]+ 243.029558 154.5
[M-H]- 219.033064 148.1
[M+NH4]+ 238.074163 160.6
[M+K]+ 259.003498 149.7
[M+H-H2O]+ 203.037600 135.9
[M+HCOO]- 265.038541 162.1
[M+CH3COO]- 279.054191 157.2
[M+Na-2H]- 241.015006 151.8
[M]+ 220.03979142 147.1
[M]- 220.04088858 147.1
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