CID 11587974

500011-92-7

Structural Information

Molecular Formula

C₁₁H₉BrClN₃O₂

SMILES

CCOC(=O)C1=CC(=NN1C2=C(C=CC=N2)Cl)Br

InChI

InChI=1S/C11H9BrClN3O2/c1-2-18-11(17)8-6-9(12)15-16(8)10-7(13)4-3-5-14-10/h3-6H,2H2,1H3

InChIKey

FQMUOIZSRNYHTL-UHFFFAOYSA-N

Compound name

ethyl 5-bromo-2-(3-chloropyridin-2-yl)pyrazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 175
Patents: 328.95667 Da
Monoisotopic Mass: 3.4
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]+	329.96395	166.2
[M+Na]+	351.94589	170.8
[M+NH4]+	346.99049	169.5
[M+K]+	367.91983	171.8
[M-H]-	327.94939	166.0
[M+Na-2H]-	349.93134	169.4
[M]+	328.95612	165.8
[M]-	328.95722	165.8

Literature stripe

literature stripe

Patent stripe

patents stripe