CID 55054319

Methyl 5-(4-chlorophenyl)-1-methyl-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C12H11ClN2O2
SMILES
CN1C(=CC(=N1)C(=O)OC)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H11ClN2O2/c1-15-11(7-10(14-15)12(16)17-2)8-3-5-9(13)6-4-8/h3-7H,1-2H3
InChIKey
MZKILUYDQDRISU-UHFFFAOYSA-N
Compound name
methyl 5-(4-chlorophenyl)-1-methylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0509 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.05818 152.8
[M+Na]+ 273.04012 167.4
[M+NH4]+ 268.08472 160.6
[M+K]+ 289.01406 162.5
[M-H]- 249.04362 155.1
[M+Na-2H]- 271.02557 160.3
[M]+ 250.05035 155.8
[M]- 250.05145 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.