CID 61175089

4-bromo-1-(3-chloropyridin-2-yl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C8H6BrClN4
SMILES
C1=CC(=C(N=C1)N2C=C(C(=N2)N)Br)Cl
InChI
InChI=1S/C8H6BrClN4/c9-5-4-14(13-7(5)11)8-6(10)2-1-3-12-8/h1-4H,(H2,11,13)
InChIKey
KQAORJZIMJKIFR-UHFFFAOYSA-N
Compound name
4-bromo-1-(3-chloropyridin-2-yl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.94644 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.95372 145.7
[M+Na]+ 294.93566 160.6
[M-H]- 270.93916 151.6
[M+NH4]+ 289.98026 164.4
[M+K]+ 310.90960 147.1
[M+H-H2O]+ 254.94370 144.0
[M+HCOO]- 316.94464 162.5
[M+CH3COO]- 330.96029 160.6
[M+Na-2H]- 292.92111 152.4
[M]+ 271.94589 165.0
[M]- 271.94699 165.0
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.