CID 2363724

5-chloro-1-(3-chlorophenyl)-3-methyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C11H8Cl2N2O
SMILES
CC1=NN(C(=C1C=O)Cl)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H8Cl2N2O/c1-7-10(6-16)11(13)15(14-7)9-4-2-3-8(12)5-9/h2-6H,1H3
InChIKey
YSHYNOWWLSEUKJ-UHFFFAOYSA-N
Compound name
5-chloro-1-(3-chlorophenyl)-3-methylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

254.00137 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00865 151.6
[M+Na]+ 276.99059 164.3
[M-H]- 252.99409 155.7
[M+NH4]+ 272.03519 169.5
[M+K]+ 292.96453 157.9
[M+H-H2O]+ 236.99863 144.6
[M+HCOO]- 298.99957 165.3
[M+CH3COO]- 313.01522 192.4
[M+Na-2H]- 274.97604 154.2
[M]+ 254.00082 156.4
[M]- 254.00192 156.4
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

No patent data available for this compound.