CID 2340681

499227-78-0

Structural Information

Molecular Formula
C11H6Cl2N4O
SMILES
C1=CC=C2C(=C1)NC(=N2)N3C(=O)C(=C(C=N3)Cl)Cl
InChI
InChI=1S/C11H6Cl2N4O/c12-6-5-14-17(10(18)9(6)13)11-15-7-3-1-2-4-8(7)16-11/h1-5H,(H,15,16)
InChIKey
RLBDZNREZLWNGW-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-4,5-dichloropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

279.99185 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.99913 155.8
[M+Na]+ 302.98107 170.3
[M-H]- 278.98457 157.3
[M+NH4]+ 298.02567 170.1
[M+K]+ 318.95501 162.2
[M+H-H2O]+ 262.98911 146.9
[M+HCOO]- 324.99005 166.4
[M+CH3COO]- 339.00570 167.8
[M+Na-2H]- 300.96652 161.5
[M]+ 279.99130 160.0
[M]- 279.99240 160.0
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

No patent data available for this compound.