CID 54730

4-indazol-2-ylbenzoic acid

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₂

SMILES

C1=CC2=CN(N=C2C=C1)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C14H10N2O2/c17-14(18)10-5-7-12(8-6-10)16-9-11-3-1-2-4-13(11)15-16/h1-9H,(H,17,18)

InChIKey

AUTJVELNICXKTK-UHFFFAOYSA-N

Compound name

4-indazol-2-ylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 238.07423 Da
Monoisotopic Mass: 2.8
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]+	239.08151	151.1
[M+Na]+	261.06345	166.5
[M+NH4]+	256.10805	159.3
[M+K]+	277.03739	161.3
[M-H]-	237.06695	154.2
[M+Na-2H]-	259.04890	159.9
[M]+	238.07368	154.2
[M]-	238.07478	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe