CID 3078726

3(2h)-pyridazinone, 5-((6-bromo-3-pyridinyl)methoxy)-4-chloro-2-(4-chlorophenyl)-

Structural Information

Molecular Formula
C16H10BrCl2N3O2
SMILES
C1=CC(=CC=C1N2C(=O)C(=C(C=N2)OCC3=CN=C(C=C3)Br)Cl)Cl
InChI
InChI=1S/C16H10BrCl2N3O2/c17-14-6-1-10(7-20-14)9-24-13-8-21-22(16(23)15(13)19)12-4-2-11(18)3-5-12/h1-8H,9H2
InChIKey
LSZOETSXVXYHIF-UHFFFAOYSA-N
Compound name
5-[(6-bromopyridin-3-yl)methoxy]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.93335 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.94063 176.4
[M+Na]+ 447.92257 191.4
[M-H]- 423.92607 184.5
[M+NH4]+ 442.96717 188.2
[M+K]+ 463.89651 176.7
[M+H-H2O]+ 407.93061 173.3
[M+HCOO]- 469.93155 186.0
[M+CH3COO]- 483.94720 189.0
[M+Na-2H]- 445.90802 182.5
[M]+ 424.93280 200.3
[M]- 424.93390 200.3
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

No patent data available for this compound.