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

1
Patents

210.9745 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.98178 136.8
[M+Na]+ 233.96372 142.0
[M+NH4]+ 229.00832 138.8
[M+K]+ 249.93766 138.7
[M-H]- 209.96722 130.8
[M+Na-2H]- 231.94917 138.9
[M]+ 210.97395 134.2
[M]- 210.97505 134.2
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