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

60
Patents

220.93555 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.94283 131.6
[M+Na]+ 243.92477 146.5
[M-H]- 219.92827 135.7
[M+NH4]+ 238.96937 152.1
[M+K]+ 259.89871 133.6
[M+H-H2O]+ 203.93281 131.5
[M+HCOO]- 265.93375 148.3
[M+CH3COO]- 279.94940 186.3
[M+Na-2H]- 241.91022 139.9
[M]+ 220.93500 150.8
[M]- 220.93610 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