CID 173645

5-amino-1-(2,4-dichlorophenyl)-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C10H6Cl2N4
SMILES
C1=CC(=C(C=C1Cl)Cl)N2C(=C(C=N2)C#N)N
InChI
InChI=1S/C10H6Cl2N4/c11-7-1-2-9(8(12)3-7)16-10(14)6(4-13)5-15-16/h1-3,5H,14H2
InChIKey
WDDDQTCPSCIJSL-UHFFFAOYSA-N
Compound name
5-amino-1-(2,4-dichlorophenyl)pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

251.99695 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.00423 155.3
[M+Na]+ 274.98617 168.7
[M-H]- 250.98967 157.4
[M+NH4]+ 270.03077 170.5
[M+K]+ 290.96011 161.2
[M+H-H2O]+ 234.99421 141.4
[M+HCOO]- 296.99515 166.3
[M+CH3COO]- 311.01080 165.9
[M+Na-2H]- 272.97162 157.1
[M]+ 251.99640 151.7
[M]- 251.99750 151.7
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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