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]+ 223.043286 143.2
[M+Na]+ 245.025228 154.8
[M-H]- 221.028734 146.3
[M+NH4]+ 240.069833 160.0
[M+K]+ 260.999168 148.9
[M+H-H2O]+ 205.033270 134.5
[M+HCOO]- 267.034211 160.1
[M+CH3COO]- 281.049861 156.3
[M+Na-2H]- 243.010676 149.7
[M]+ 222.03546142 144.3
[M]- 222.03655858 144.3
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