CID 2736823

175135-46-3

Structural Information

Molecular Formula
C11H7Cl2FN2O
SMILES
C1=CC=C(C(=C1)CN2C(=O)C(=C(C=N2)Cl)Cl)F
InChI
InChI=1S/C11H7Cl2FN2O/c12-8-5-15-16(11(17)10(8)13)6-7-3-1-2-4-9(7)14/h1-5H,6H2
InChIKey
KXXLLZDAGSQFED-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

271.99194 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.99922 150.6
[M+Na]+ 294.98116 163.4
[M-H]- 270.98466 153.2
[M+NH4]+ 290.02576 166.0
[M+K]+ 310.95510 156.5
[M+H-H2O]+ 254.98920 142.4
[M+HCOO]- 316.99014 162.6
[M+CH3COO]- 331.00579 163.1
[M+Na-2H]- 292.96661 155.5
[M]+ 271.99139 153.9
[M]- 271.99249 153.9
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