CID 2757847

3-(3-chlorophenyl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C10H7ClN2O
SMILES
C1=CC(=CC(=C1)Cl)C2=C(C=NN2)C=O
InChI
InChI=1S/C10H7ClN2O/c11-9-3-1-2-7(4-9)10-8(6-14)5-12-13-10/h1-6H,(H,12,13)
InChIKey
AZCKCFMHUXPYNT-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.02469 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03197 141.5
[M+Na]+ 229.01391 156.4
[M+NH4]+ 224.05851 149.9
[M+K]+ 244.98785 150.6
[M-H]- 205.01741 143.9
[M+Na-2H]- 226.99936 149.9
[M]+ 206.02414 144.5
[M]- 206.02524 144.5
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.

Patent stripe

No patent data available for this compound.