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

14
Patents

234.05598 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.063256 149.4
[M+Na]+ 257.045198 161.5
[M-H]- 233.048704 154.3
[M+NH4]+ 252.089803 167.9
[M+K]+ 273.019138 156.1
[M+H-H2O]+ 217.053240 142.1
[M+HCOO]- 279.054181 168.2
[M+CH3COO]- 293.069831 190.8
[M+Na-2H]- 255.030646 152.4
[M]+ 234.05543142 153.7
[M]- 234.05652858 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