CID 12257505

3-(5-bromothiophen-2-yl)-6-chloropyridazine

Structural Information

Molecular Formula
C8H4BrClN2S
SMILES
C1=CC(=NN=C1C2=CC=C(S2)Br)Cl
InChI
InChI=1S/C8H4BrClN2S/c9-7-3-2-6(13-7)5-1-4-8(10)12-11-5/h1-4H
InChIKey
AWZDLHYLGRBAEE-UHFFFAOYSA-N
Compound name
3-(5-bromothiophen-2-yl)-6-chloropyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

273.8967 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.90398 141.3
[M+Na]+ 296.88592 147.2
[M+NH4]+ 291.93052 147.5
[M+K]+ 312.85986 145.6
[M-H]- 272.88942 143.4
[M+Na-2H]- 294.87137 146.9
[M]+ 273.89615 142.3
[M]- 273.89725 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.