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]+ 212.99808 140.6
[M+Na]+ 234.98002 152.1
[M-H]- 210.98352 144.1
[M+NH4]+ 230.02462 159.7
[M+K]+ 250.95396 146.3
[M+H-H2O]+ 194.98806 133.4
[M+HCOO]- 256.98900 154.6
[M+CH3COO]- 271.00465 154.0
[M+Na-2H]- 232.96547 145.7
[M]+ 211.99025 143.1
[M]- 211.99135 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