CID 59233385

3,4-dibromo-6-(trifluoromethyl)pyridazine

Structural Information

Molecular Formula
C5HBr2F3N2
SMILES
C1=C(C(=NN=C1C(F)(F)F)Br)Br
InChI
InChI=1S/C5HBr2F3N2/c6-2-1-3(5(8,9)10)11-12-4(2)7/h1H
InChIKey
NRHAURZCUNKMEV-UHFFFAOYSA-N
Compound name
3,4-dibromo-6-(trifluoromethyl)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

303.84586 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.85314 139.6
[M+Na]+ 326.83508 152.8
[M-H]- 302.83858 142.1
[M+NH4]+ 321.87968 157.0
[M+K]+ 342.80902 136.9
[M+H-H2O]+ 286.84312 146.0
[M+HCOO]- 348.84406 151.8
[M+CH3COO]- 362.85971 202.6
[M+Na-2H]- 324.82053 147.6
[M]+ 303.84531 170.6
[M]- 303.84641 170.6
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