CID 17024573

1005609-70-0

Structural Information

Molecular Formula

C₆H₇ClN₂O

SMILES

CCN1C(=C(C=N1)Cl)C=O

InChI

InChI=1S/C6H7ClN2O/c1-2-9-6(4-10)5(7)3-8-9/h3-4H,2H2,1H3

InChIKey

RALDUINQWFDEEY-UHFFFAOYSA-N

Compound name

4-chloro-2-ethylpyrazole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 158.02469 Da
Monoisotopic Mass: 1.0
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]+	159.03197	128.4
[M+Na]+	181.01391	139.9
[M-H]-	157.01741	129.8
[M+NH4]+	176.05851	149.8
[M+K]+	196.98785	136.8
[M+H-H2O]+	141.02195	122.5
[M+HCOO]-	203.02289	147.7
[M+CH3COO]-	217.03854	175.0
[M+Na-2H]-	178.99936	133.8
[M]+	158.02414	132.0
[M]-	158.02524	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe