CID 83905991

1547032-01-8

Structural Information

Molecular Formula

C₇H₉ClN₂O

SMILES

CCC1=NN(C(=C1Cl)C=O)C

InChI

InChI=1S/C7H9ClN2O/c1-3-5-7(8)6(4-11)10(2)9-5/h4H,3H2,1-2H3

InChIKey

LKLADOHPWHLXGV-UHFFFAOYSA-N

Compound name

4-chloro-5-ethyl-2-methylpyrazole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 172.04034 Da
Monoisotopic Mass: 1.5
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]+	173.04762	133.1
[M+Na]+	195.02956	146.5
[M+NH4]+	190.07416	141.1
[M+K]+	211.00350	141.8
[M-H]-	171.03306	133.3
[M+Na-2H]-	193.01501	138.4
[M]+	172.03979	135.2
[M]-	172.04089	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.