CID 33676164

3-(3-bromophenyl)-6-chloropyridazine

Structural Information

Molecular Formula
C10H6BrClN2
SMILES
C1=CC(=CC(=C1)Br)C2=NN=C(C=C2)Cl
InChI
InChI=1S/C10H6BrClN2/c11-8-3-1-2-7(6-8)9-4-5-10(12)14-13-9/h1-6H
InChIKey
KNYWWMABMAMYEU-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)-6-chloropyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.94028 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.94756 143.4
[M+Na]+ 290.92950 157.4
[M-H]- 266.93300 150.3
[M+NH4]+ 285.97410 162.1
[M+K]+ 306.90344 144.1
[M+H-H2O]+ 250.93754 142.7
[M+HCOO]- 312.93848 159.7
[M+CH3COO]- 326.95413 158.6
[M+Na-2H]- 288.91495 153.0
[M]+ 267.93973 163.5
[M]- 267.94083 163.5
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.