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 126.8
[M+Na]+ 233.96372 141.9
[M-H]- 209.96722 129.4
[M+NH4]+ 229.00832 145.1
[M+K]+ 249.93766 131.2
[M+H-H2O]+ 193.97176 119.4
[M+HCOO]- 255.97270 145.8
[M+CH3COO]- 269.98835 197.1
[M+Na-2H]- 231.94917 135.0
[M]+ 210.97395 139.7
[M]- 210.97505 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