CID 12100783

1-(2,4-dichlorophenyl)-1h-pyrazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
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

literature stripe

Patent stripe

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