CID 20572459

1-(3,4-dichlorophenyl)-1h-pyrazole

Structural Information

Molecular Formula
C9H6Cl2N2
SMILES
C1=CN(N=C1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C9H6Cl2N2/c10-8-3-2-7(6-9(8)11)13-5-1-4-12-13/h1-6H
InChIKey
RAWYYAUKEAIOFW-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

211.9908 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.998076 140.6
[M+Na]+ 234.980018 152.1
[M-H]- 210.983524 144.1
[M+NH4]+ 230.024623 159.7
[M+K]+ 250.953958 146.3
[M+H-H2O]+ 194.988060 133.4
[M+HCOO]- 256.989001 154.6
[M+CH3COO]- 271.004651 154.0
[M+Na-2H]- 232.965466 145.7
[M]+ 211.99025142 143.1
[M]- 211.99134858 143.1
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