CID 735798

2-(2-chloro-6-fluorobenzyl)-4,5-dichloropyridazin-3(2h)-one

Structural Information

Molecular Formula
C11H6Cl3FN2O
SMILES
C1=CC(=C(C(=C1)Cl)CN2C(=O)C(=C(C=N2)Cl)Cl)F
InChI
InChI=1S/C11H6Cl3FN2O/c12-7-2-1-3-9(15)6(7)5-17-11(18)10(14)8(13)4-16-17/h1-4H,5H2
InChIKey
HBPHPFABRZLERP-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

305.95297 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.96025 155.6
[M+Na]+ 328.94219 168.9
[M-H]- 304.94569 157.1
[M+NH4]+ 323.98679 169.8
[M+K]+ 344.91613 161.6
[M+H-H2O]+ 288.95023 147.9
[M+HCOO]- 350.95117 162.0
[M+CH3COO]- 364.96682 167.1
[M+Na-2H]- 326.92764 158.7
[M]+ 305.95242 159.3
[M]- 305.95352 159.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe