CID 58446969

5-bromo-2-chloro-4-hydrazinylpyrimidine

Structural Information

Molecular Formula
C4H4BrClN4
SMILES
C1=C(C(=NC(=N1)Cl)NN)Br
InChI
InChI=1S/C4H4BrClN4/c5-2-1-8-4(6)9-3(2)10-7/h1H,7H2,(H,8,9,10)
InChIKey
AMSJZRAXFYZFSC-UHFFFAOYSA-N
Compound name
(5-bromo-2-chloropyrimidin-4-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

221.93079 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.93807 130.8
[M+Na]+ 244.92001 144.3
[M-H]- 220.92351 134.5
[M+NH4]+ 239.96461 150.5
[M+K]+ 260.89395 131.2
[M+H-H2O]+ 204.92805 129.9
[M+HCOO]- 266.92899 148.8
[M+CH3COO]- 280.94464 187.0
[M+Na-2H]- 242.90546 140.6
[M]+ 221.93024 148.5
[M]- 221.93134 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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