CID 80514568

3-bromo-5,6-dimethylpyridazine-4-carbonitrile

Structural Information

Molecular Formula
C7H6BrN3
SMILES
CC1=C(N=NC(=C1C#N)Br)C
InChI
InChI=1S/C7H6BrN3/c1-4-5(2)10-11-7(8)6(4)3-9/h1-2H3
InChIKey
SGSZPSPKDRQWII-UHFFFAOYSA-N
Compound name
3-bromo-5,6-dimethylpyridazine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

210.9745 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.981776 126.8
[M+Na]+ 233.963718 141.9
[M-H]- 209.967224 129.4
[M+NH4]+ 229.008323 145.1
[M+K]+ 249.937658 131.2
[M+H-H2O]+ 193.971760 119.4
[M+HCOO]- 255.972701 145.8
[M+CH3COO]- 269.988351 197.1
[M+Na-2H]- 231.949166 135.0
[M]+ 210.97395142 139.7
[M]- 210.97504858 139.7
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

patents stripe