CID 83905991

1547032-01-8

Structural Information

Molecular Formula
C7H9ClN2O
SMILES
CCC1=NN(C(=C1Cl)C=O)C
InChI
InChI=1S/C7H9ClN2O/c1-3-5-7(8)6(4-11)10(2)9-5/h4H,3H2,1-2H3
InChIKey
LKLADOHPWHLXGV-UHFFFAOYSA-N
Compound name
4-chloro-5-ethyl-2-methylpyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.04034 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04762 132.6
[M+Na]+ 195.02956 144.5
[M-H]- 171.03306 134.2
[M+NH4]+ 190.07416 153.7
[M+K]+ 211.00350 141.2
[M+H-H2O]+ 155.03760 126.9
[M+HCOO]- 217.03854 151.6
[M+CH3COO]- 231.05419 179.2
[M+Na-2H]- 193.01501 136.8
[M]+ 172.03979 137.0
[M]- 172.04089 137.0
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.