CID 22915376

3-bromo-6-(trifluoromethyl)pyridazine

Structural Information

Molecular Formula
C5H2BrF3N2
SMILES
C1=CC(=NN=C1C(F)(F)F)Br
InChI
InChI=1S/C5H2BrF3N2/c6-4-2-1-3(10-11-4)5(7,8)9/h1-2H
InChIKey
WCBUSZLXHSFLHK-UHFFFAOYSA-N
Compound name
3-bromo-6-(trifluoromethyl)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

225.93535 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.942626 135.4
[M+Na]+ 248.924568 149.2
[M-H]- 224.928074 136.1
[M+NH4]+ 243.969173 155.0
[M+K]+ 264.898508 138.0
[M+H-H2O]+ 208.932610 133.0
[M+HCOO]- 270.933551 151.8
[M+CH3COO]- 284.949201 184.2
[M+Na-2H]- 246.910016 144.7
[M]+ 225.93480142 150.0
[M]- 225.93589858 150.0
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