CID 2318104

77509-93-4

Structural Information

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

literature stripe

Patent stripe

patents stripe