CID 82415713

5-chloro-3-ethyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C6H7ClN2O
SMILES
CCC1=C(C(=NN1)Cl)C=O
InChI
InChI=1S/C6H7ClN2O/c1-2-5-4(3-10)6(7)9-8-5/h3H,2H2,1H3,(H,8,9)
InChIKey
BAIQZSKAAIMDNV-UHFFFAOYSA-N
Compound name
3-chloro-5-ethyl-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.02469 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.03197 129.3
[M+Na]+ 181.01391 141.9
[M+NH4]+ 176.05851 137.1
[M+K]+ 196.98785 137.6
[M-H]- 157.01741 128.9
[M+Na-2H]- 178.99936 134.5
[M]+ 158.02414 131.1
[M]- 158.02524 131.1
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.

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No patent data available for this compound.