CID 62202321

6-(5-bromothiophen-2-yl)pyridazin-3-amine

Structural Information

Molecular Formula
C8H6BrN3S
SMILES
C1=CC(=NN=C1C2=CC=C(S2)Br)N
InChI
InChI=1S/C8H6BrN3S/c9-7-3-2-6(13-7)5-1-4-8(10)12-11-5/h1-4H,(H2,10,12)
InChIKey
AFRBAPJZZUACDD-UHFFFAOYSA-N
Compound name
6-(5-bromothiophen-2-yl)pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.94658 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.95386 138.7
[M+Na]+ 277.93580 142.5
[M+NH4]+ 272.98040 144.1
[M+K]+ 293.90974 142.3
[M-H]- 253.93930 140.9
[M+Na-2H]- 275.92125 143.8
[M]+ 254.94603 139.0
[M]- 254.94713 139.0
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

No patent data available for this compound.