CID 59624331

4-bromo-6-chloro-5-methylpyridazin-3-amine

Structural Information

Molecular Formula
C5H5BrClN3
SMILES
CC1=C(C(=NN=C1Cl)N)Br
InChI
InChI=1S/C5H5BrClN3/c1-2-3(6)5(8)10-9-4(2)7/h1H3,(H2,8,10)
InChIKey
ZLYWLRPISFPECU-UHFFFAOYSA-N
Compound name
4-bromo-6-chloro-5-methylpyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

220.93555 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.942826 131.6
[M+Na]+ 243.924768 146.5
[M-H]- 219.928274 135.7
[M+NH4]+ 238.969373 152.1
[M+K]+ 259.898708 133.6
[M+H-H2O]+ 203.932810 131.5
[M+HCOO]- 265.933751 148.3
[M+CH3COO]- 279.949401 186.3
[M+Na-2H]- 241.910216 139.9
[M]+ 220.93500142 150.8
[M]- 220.93609858 150.8
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