CID 12101926

5-chloro-3-methyl-1-(pyridin-2-yl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C10H8ClN3O
SMILES
CC1=NN(C(=C1C=O)Cl)C2=CC=CC=N2
InChI
InChI=1S/C10H8ClN3O/c1-7-8(6-15)10(11)14(13-7)9-4-2-3-5-12-9/h2-6H,1H3
InChIKey
FJNVPUVZXCCVQB-UHFFFAOYSA-N
Compound name
5-chloro-3-methyl-1-pyridin-2-ylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

221.03558 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.04286 144.9
[M+Na]+ 244.02480 156.9
[M-H]- 220.02830 148.3
[M+NH4]+ 239.06940 162.1
[M+K]+ 259.99874 151.9
[M+H-H2O]+ 204.03284 136.6
[M+HCOO]- 266.03378 162.9
[M+CH3COO]- 280.04943 158.3
[M+Na-2H]- 242.01025 149.5
[M]+ 221.03503 148.5
[M]- 221.03613 148.5
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