CID 163784

108287-80-5

Structural Information

Molecular Formula
C8H9BrCl2N2
SMILES
CC(C)(CBr)C1=CC(=NN=C1Cl)Cl
InChI
InChI=1S/C8H9BrCl2N2/c1-8(2,4-9)5-3-6(10)12-13-7(5)11/h3H,4H2,1-2H3
InChIKey
CJWXEEPLGDEHCW-UHFFFAOYSA-N
Compound name
4-(1-bromo-2-methylpropan-2-yl)-3,6-dichloropyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

281.93262 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.93990 145.8
[M+Na]+ 304.92184 160.4
[M-H]- 280.92534 149.4
[M+NH4]+ 299.96644 164.9
[M+K]+ 320.89578 146.6
[M+H-H2O]+ 264.92988 146.4
[M+HCOO]- 326.93082 154.9
[M+CH3COO]- 340.94647 194.5
[M+Na-2H]- 302.90729 153.9
[M]+ 281.93207 167.3
[M]- 281.93317 167.3
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