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: 9
Patents: 206.02469 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe