CID 25224140

3-(4-chlorophenyl)-1h-pyrazole-5-carbaldehyde

Structural Information

Molecular Formula
C10H7ClN2O
SMILES
C1=CC(=CC=C1C2=NNC(=C2)C=O)Cl
InChI
InChI=1S/C10H7ClN2O/c11-8-3-1-7(2-4-8)10-5-9(6-14)12-13-10/h1-6H,(H,12,13)
InChIKey
WBNCITQIWJKKJX-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 141.1
[M+Na]+ 229.013908 151.8
[M-H]- 205.017414 144.2
[M+NH4]+ 224.058513 159.4
[M+K]+ 244.987848 146.0
[M+H-H2O]+ 189.021950 133.9
[M+HCOO]- 251.022891 159.1
[M+CH3COO]- 265.038541 154.3
[M+Na-2H]- 226.999356 146.2
[M]+ 206.02414142 142.0
[M]- 206.02523858 142.0
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

patents stripe