CID 849375

5-chloro-1-phenyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C10H7ClN2O
SMILES
C1=CC=C(C=C1)N2C(=C(C=N2)C=O)Cl
InChI
InChI=1S/C10H7ClN2O/c11-10-8(7-14)6-12-13(10)9-4-2-1-3-5-9/h1-7H
InChIKey
NSFKRTCSUBXVIK-UHFFFAOYSA-N
Compound name
5-chloro-1-phenylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

206.02469 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.031966 140.6
[M+Na]+ 229.013908 151.7
[M-H]- 205.017414 145.1
[M+NH4]+ 224.058513 159.6
[M+K]+ 244.987848 146.8
[M+H-H2O]+ 189.021950 133.1
[M+HCOO]- 251.022891 160.1
[M+CH3COO]- 265.038541 154.5
[M+Na-2H]- 226.999356 146.1
[M]+ 206.02414142 143.4
[M]- 206.02523858 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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