CID 105541351

6-bromo-3-chloro-5h-indeno[1,2-c]pyridazine

Structural Information

Molecular Formula
C11H6BrClN2
SMILES
C1C2=CC(=NN=C2C3=C1C(=CC=C3)Br)Cl
InChI
InChI=1S/C11H6BrClN2/c12-9-3-1-2-7-8(9)4-6-5-10(13)14-15-11(6)7/h1-3,5H,4H2
InChIKey
VECOVFRZTFHRGW-UHFFFAOYSA-N
Compound name
6-bromo-3-chloro-5H-indeno[1,2-c]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.94028 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.947556 151.6
[M+Na]+ 302.929498 167.5
[M-H]- 278.933004 157.7
[M+NH4]+ 297.974103 173.9
[M+K]+ 318.903438 154.1
[M+H-H2O]+ 262.937540 151.7
[M+HCOO]- 324.938481 166.7
[M+CH3COO]- 338.954131 166.9
[M+Na-2H]- 300.914946 160.1
[M]+ 279.93973142 173.1
[M]- 279.94082858 173.1
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.