CID 120949

1-(o-chlorobenzyl)-1h-indazol-3-ol

Structural Information

Molecular Formula

C₁₄H₁₁ClN₂O

SMILES

C1=CC=C(C(=C1)CN2C3=CC=CC=C3C(=O)N2)Cl

InChI

InChI=1S/C14H11ClN2O/c15-12-7-3-1-5-10(12)9-17-13-8-4-2-6-11(13)14(18)16-17/h1-8H,9H2,(H,16,18)

InChIKey

SOLDYCGMHQNPBO-UHFFFAOYSA-N

Compound name

1-[(2-chlorophenyl)methyl]-2H-indazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 258.056 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]+	259.063276	154.8
[M+Na]+	281.045218	167.2
[M-H]-	257.048724	159.3
[M+NH4]+	276.089823	172.3
[M+K]+	297.019158	159.6
[M+H-H2O]+	241.053260	147.2
[M+HCOO]-	303.054201	172.7
[M+CH3COO]-	317.069851	167.8
[M+Na-2H]-	279.030666	160.8
[M]+	258.05545142	158.0
[M]-	258.05654858	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe