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]+ 280.94756 151.6
[M+Na]+ 302.92950 167.5
[M-H]- 278.93300 157.7
[M+NH4]+ 297.97410 173.9
[M+K]+ 318.90344 154.1
[M+H-H2O]+ 262.93754 151.7
[M+HCOO]- 324.93848 166.7
[M+CH3COO]- 338.95413 166.9
[M+Na-2H]- 300.91495 160.1
[M]+ 279.93973 173.1
[M]- 279.94083 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.