CID 54595715

3-chloro-6-(3-fluorophenyl)-4-methylpyridazine

Structural Information

Molecular Formula
C11H8ClFN2
SMILES
CC1=CC(=NN=C1Cl)C2=CC(=CC=C2)F
InChI
InChI=1S/C11H8ClFN2/c1-7-5-10(14-15-11(7)12)8-3-2-4-9(13)6-8/h2-6H,1H3
InChIKey
GKNOVWBMNBNTHK-UHFFFAOYSA-N
Compound name
3-chloro-6-(3-fluorophenyl)-4-methylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

222.03601 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.04329 144.6
[M+Na]+ 245.02523 161.5
[M+NH4]+ 240.06983 153.5
[M+K]+ 260.99917 152.8
[M-H]- 221.02873 147.7
[M+Na-2H]- 243.01068 154.8
[M]+ 222.03546 148.3
[M]- 222.03656 148.3
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