CID 609912

350997-67-0

Structural Information

Molecular Formula
C10H7ClN2O
SMILES
C1=CC(=CC=C1C2=C(C=NN2)C=O)Cl
InChI
InChI=1S/C10H7ClN2O/c11-9-3-1-7(2-4-9)10-8(6-14)5-12-13-10/h1-6H,(H,12,13)
InChIKey
XSFZGZIGMMWQKR-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

206.02469 Da
Monoisotopic Mass

2.0
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

literature stripe

Patent stripe

patents stripe