CID 15767233

1-(4-chlorophenyl)-3,5-dimethyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C12H11ClN2O
SMILES
CC1=C(C(=NN1C2=CC=C(C=C2)Cl)C)C=O
InChI
InChI=1S/C12H11ClN2O/c1-8-12(7-16)9(2)15(14-8)11-5-3-10(13)4-6-11/h3-7H,1-2H3
InChIKey
PXADITRBANJNSZ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3,5-dimethylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

234.05598 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06326 149.4
[M+Na]+ 257.04520 161.5
[M-H]- 233.04870 154.3
[M+NH4]+ 252.08980 167.9
[M+K]+ 273.01914 156.1
[M+H-H2O]+ 217.05324 142.1
[M+HCOO]- 279.05418 168.2
[M+CH3COO]- 293.06983 190.8
[M+Na-2H]- 255.03065 152.4
[M]+ 234.05543 153.7
[M]- 234.05653 153.7
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