CID 119653

Ethychlozate

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂O₂

SMILES

CCOC(=O)CC1=C2C=C(C=CC2=NN1)Cl

InChI

InChI=1S/C11H11ClN2O2/c1-2-16-11(15)6-10-8-5-7(12)3-4-9(8)13-14-10/h3-5H,2,6H2,1H3,(H,13,14)

InChIKey

GLPZEHFBLBYFHN-UHFFFAOYSA-N

Compound name

ethyl 2-(5-chloro-2H-indazol-3-yl)acetate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 2807
Patents: 238.0509 Da
Monoisotopic Mass: 2.4
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]+	239.058176	149.3
[M+Na]+	261.040118	160.4
[M-H]-	237.043624	150.4
[M+NH4]+	256.084723	167.8
[M+K]+	277.014058	155.2
[M+H-H2O]+	221.048160	142.9
[M+HCOO]-	283.049101	166.1
[M+CH3COO]-	297.064751	186.7
[M+Na-2H]-	259.025566	154.4
[M]+	238.05035142	154.2
[M]-	238.05144858	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe