CID 640750

111198-02-8

Structural Information

Molecular Formula

C₁₃H₁₁N₃O

SMILES

C1=CC=C(C=C1)OCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C13H11N3O/c1-2-6-11(7-3-1)17-10-16-13-9-5-4-8-12(13)14-15-16/h1-9H,10H2

InChIKey

XZWVGFYDCFRPDZ-UHFFFAOYSA-N

Compound name

1-(phenoxymethyl)benzotriazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 225.09021 Da
Monoisotopic Mass: 3.0
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]+	226.09749	148.1
[M+Na]+	248.07943	164.3
[M+NH4]+	243.12403	156.8
[M+K]+	264.05337	157.9
[M-H]-	224.08293	151.6
[M+Na-2H]-	246.06488	158.4
[M]+	225.08966	151.5
[M]-	225.09076	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe