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

9
Patents

254.00137 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.008646 151.6
[M+Na]+ 276.990588 164.3
[M-H]- 252.994094 155.7
[M+NH4]+ 272.035193 169.5
[M+K]+ 292.964528 157.9
[M+H-H2O]+ 236.998630 144.6
[M+HCOO]- 298.999571 165.3
[M+CH3COO]- 313.015221 192.4
[M+Na-2H]- 274.976036 154.2
[M]+ 254.00082142 156.4
[M]- 254.00191858 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

patents stripe