CID 58119479

1189363-78-7

Structural Information

Molecular Formula

C₆H₇ClN₂O₂

SMILES

CCOC(=O)C1=C(C=NN1)Cl

InChI

InChI=1S/C6H7ClN2O2/c1-2-11-6(10)5-4(7)3-8-9-5/h3H,2H2,1H3,(H,8,9)

InChIKey

IEARPPYKRNLUBY-UHFFFAOYSA-N

Compound name

ethyl 4-chloro-1H-pyrazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 174.0196 Da
Monoisotopic Mass: 1.4
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]+	175.02688	132.5
[M+Na]+	197.00882	142.3
[M-H]-	173.01232	132.4
[M+NH4]+	192.05342	152.1
[M+K]+	212.98276	139.3
[M+H-H2O]+	157.01686	126.5
[M+HCOO]-	219.01780	149.6
[M+CH3COO]-	233.03345	173.4
[M+Na-2H]-	194.99427	137.0
[M]+	174.01905	134.6
[M]-	174.02015	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe