CID 61175443

1-(3,5-dichloropyridin-2-yl)-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C8H6Cl2N4
SMILES
C1=C(C=NC(=C1Cl)N2C=C(C=N2)N)Cl
InChI
InChI=1S/C8H6Cl2N4/c9-5-1-7(10)8(12-2-5)14-4-6(11)3-13-14/h1-4H,11H2
InChIKey
SPTWIADVPOGCGX-UHFFFAOYSA-N
Compound name
1-(3,5-dichloropyridin-2-yl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

227.99695 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.00423 145.2
[M+Na]+ 250.98617 157.1
[M-H]- 226.98967 147.3
[M+NH4]+ 246.03077 161.9
[M+K]+ 266.96011 150.9
[M+H-H2O]+ 210.99421 137.1
[M+HCOO]- 272.99515 158.5
[M+CH3COO]- 287.01080 157.7
[M+Na-2H]- 248.97162 149.4
[M]+ 227.99640 146.5
[M]- 227.99750 146.5
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