CID 24701715

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

Structural Information

Molecular Formula

C₁₀H₇ClN₂O

SMILES

C1=CC(=CC(=C1)Cl)N2C=C(C=N2)C=O

InChI

InChI=1S/C10H7ClN2O/c11-9-2-1-3-10(4-9)13-6-8(7-14)5-12-13/h1-7H

InChIKey

WZXGTPGACUQZRZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
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	140.9
[M+Na]+	229.01391	156.4
[M+NH4]+	224.05851	149.7
[M+K]+	244.98785	150.3
[M-H]-	205.01741	143.9
[M+Na-2H]-	226.99936	149.9
[M]+	206.02414	144.2
[M]-	206.02524	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe