CID 75176206

1443291-22-2

Structural Information

Molecular Formula

C₁₁H₁₂ClN₃O

SMILES

CC(C1=CN(N=N1)CC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C11H12ClN3O/c1-8(16)11-7-15(14-13-11)6-9-2-4-10(12)5-3-9/h2-5,7-8,16H,6H2,1H3

InChIKey

PXWXFSDBNAYILL-UHFFFAOYSA-N

Compound name

1-[1-[(4-chlorophenyl)methyl]triazol-4-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 237.0669 Da
Monoisotopic Mass: 1.5
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]+	238.07418	150.8
[M+Na]+	260.05612	164.8
[M+NH4]+	255.10072	158.3
[M+K]+	276.03006	160.0
[M-H]-	236.05962	152.3
[M+Na-2H]-	258.04157	158.2
[M]+	237.06635	153.4
[M]-	237.06745	153.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.