CID 90457476

1592296-18-8

Structural Information

Molecular Formula

C₁₀H₉ClN₂O

SMILES

C1=CC=C(C(=C1)CN2C=C(C=N2)O)Cl

InChI

InChI=1S/C10H9ClN2O/c11-10-4-2-1-3-8(10)6-13-7-9(14)5-12-13/h1-5,7,14H,6H2

InChIKey

VBUPEWSUEGHPBW-UHFFFAOYSA-N

Compound name

1-[(2-chlorophenyl)methyl]pyrazol-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 208.04034 Da
Monoisotopic Mass: 2.1
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]+	209.04762	142.1
[M+Na]+	231.02956	157.0
[M+NH4]+	226.07416	150.8
[M+K]+	247.00350	151.3
[M-H]-	207.03306	144.8
[M+Na-2H]-	229.01501	150.6
[M]+	208.03979	145.3
[M]-	208.04089	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe