CID 89846

4-tert-butyl-3,6-dichloropyridazine

Structural Information

Molecular Formula
C8H10Cl2N2
SMILES
CC(C)(C)C1=CC(=NN=C1Cl)Cl
InChI
InChI=1S/C8H10Cl2N2/c1-8(2,3)5-4-6(9)11-12-7(5)10/h4H,1-3H3
InChIKey
DTUZXHRABOWYAE-UHFFFAOYSA-N
Compound name
4-tert-butyl-3,6-dichloropyridazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

172
Patents

204.02211 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02939 139.8
[M+Na]+ 227.01133 150.9
[M-H]- 203.01483 140.5
[M+NH4]+ 222.05593 158.1
[M+K]+ 242.98527 146.2
[M+H-H2O]+ 187.01937 134.3
[M+HCOO]- 249.02031 150.5
[M+CH3COO]- 263.03596 184.3
[M+Na-2H]- 224.99678 146.4
[M]+ 204.02156 143.0
[M]- 204.02266 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe