CID 12470261

27328-68-3

Structural Information

Molecular Formula

C₉H₇ClN₂O₂

SMILES

C1=CC2=NNC(=C2C=C1Cl)CC(=O)O

InChI

InChI=1S/C9H7ClN2O2/c10-5-1-2-7-6(3-5)8(12-11-7)4-9(13)14/h1-3H,4H2,(H,11,12)(H,13,14)

InChIKey

OIQMRQZOCUNAIN-UHFFFAOYSA-N

Compound name

2-(5-chloro-2H-indazol-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
Patents: 210.0196 Da
Monoisotopic Mass: 1.7
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]+	211.02688	140.0
[M+Na]+	233.00882	151.4
[M-H]-	209.01232	140.1
[M+NH4]+	228.05342	158.8
[M+K]+	248.98276	145.9
[M+H-H2O]+	193.01686	134.3
[M+HCOO]-	255.01780	156.0
[M+CH3COO]-	269.03345	178.9
[M+Na-2H]-	230.99427	145.8
[M]+	210.01905	142.4
[M]-	210.02015	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe