CID 54730

81265-85-2

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: 7
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]+	239.081506	150.5
[M+Na]+	261.063448	160.8
[M-H]-	237.066954	155.2
[M+NH4]+	256.108053	167.5
[M+K]+	277.037388	155.9
[M+H-H2O]+	221.071490	142.4
[M+HCOO]-	283.072431	172.4
[M+CH3COO]-	297.088081	163.4
[M+Na-2H]-	259.048896	156.9
[M]+	238.07368142	152.1
[M]-	238.07477858	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe