CID 2763878

133902-66-6

Structural Information

Molecular Formula

C₉H₈ClN₃O

SMILES

C1=CC(=CC=C1N2C=C(N=N2)CO)Cl

InChI

InChI=1S/C9H8ClN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-5,14H,6H2

InChIKey

CAHIFLPAMJOAGI-UHFFFAOYSA-N

Compound name

[1-(4-chlorophenyl)triazol-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 18
Patents: 209.03558 Da
Monoisotopic Mass: 1.1
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]+	210.042856	141.4
[M+Na]+	232.024798	152.2
[M-H]-	208.028304	143.2
[M+NH4]+	227.069403	158.2
[M+K]+	247.998738	147.2
[M+H-H2O]+	192.032840	133.3
[M+HCOO]-	254.033781	158.2
[M+CH3COO]-	268.049431	154.2
[M+Na-2H]-	230.010246	147.0
[M]+	209.03503142	143.1
[M]-	209.03612858	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe