CID 4372988

4,5-dichloro-3-(dichloromethyl)-1-phenylpyrazole

Structural Information

Molecular Formula
C10H6Cl4N2
SMILES
C1=CC=C(C=C1)N2C(=C(C(=N2)C(Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H6Cl4N2/c11-7-8(9(12)13)15-16(10(7)14)6-4-2-1-3-5-6/h1-5,9H
InChIKey
XEEFGPTZKKCRMW-UHFFFAOYSA-N
Compound name
4,5-dichloro-3-(dichloromethyl)-1-phenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.9285 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.93578 158.4
[M+Na]+ 316.91772 168.9
[M-H]- 292.92122 158.9
[M+NH4]+ 311.96232 173.6
[M+K]+ 332.89166 162.5
[M+H-H2O]+ 276.92576 151.5
[M+HCOO]- 338.92670 159.5
[M+CH3COO]- 352.94235 168.4
[M+Na-2H]- 314.90317 158.3
[M]+ 293.92795 159.9
[M]- 293.92905 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.