CID 976021

3-(3-chloro-4-ethoxyphenyl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C12H11ClN2O2
SMILES
CCOC1=C(C=C(C=C1)C2=C(C=NN2)C=O)Cl
InChI
InChI=1S/C12H11ClN2O2/c1-2-17-11-4-3-8(5-10(11)13)12-9(7-16)6-14-15-12/h3-7H,2H2,1H3,(H,14,15)
InChIKey
RLCRFZUDXDARPS-UHFFFAOYSA-N
Compound name
5-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0509 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.05818 153.6
[M+Na]+ 273.04012 167.9
[M+NH4]+ 268.08472 161.0
[M+K]+ 289.01406 162.4
[M-H]- 249.04362 155.5
[M+Na-2H]- 271.02557 160.7
[M]+ 250.05035 156.3
[M]- 250.05145 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.