CID 137942952

4-bromo-3,6-dimethylpyridazine

Structural Information

Molecular Formula
C6H7BrN2
SMILES
CC1=CC(=C(N=N1)C)Br
InChI
InChI=1S/C6H7BrN2/c1-4-3-6(7)5(2)9-8-4/h3H,1-2H3
InChIKey
HZGKQBREDQLXBA-UHFFFAOYSA-N
Compound name
4-bromo-3,6-dimethylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.97926 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.986536 126.4
[M+Na]+ 208.968478 140.3
[M-H]- 184.971984 131.0
[M+NH4]+ 204.013083 148.0
[M+K]+ 224.942418 129.9
[M+H-H2O]+ 168.976520 126.4
[M+HCOO]- 230.977461 147.2
[M+CH3COO]- 244.993111 180.7
[M+Na-2H]- 206.953926 136.3
[M]+ 185.97871142 145.8
[M]- 185.97980858 145.8
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.