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

12
Patents

221.03558 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.042856 144.9
[M+Na]+ 244.024798 156.9
[M-H]- 220.028304 148.3
[M+NH4]+ 239.069403 162.1
[M+K]+ 259.998738 151.9
[M+H-H2O]+ 204.032840 136.6
[M+HCOO]- 266.033781 162.9
[M+CH3COO]- 280.049431 158.3
[M+Na-2H]- 242.010246 149.5
[M]+ 221.03503142 148.5
[M]- 221.03612858 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