CID 28398

5-chlorobenzoxazole

Structural Information

Molecular Formula

SMILES

C1=CC2=C(C=C1Cl)N=CO2

InChI

InChI=1S/C7H4ClNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H

InChIKey

VWMQXAYLHOSRKA-UHFFFAOYSA-N

Compound name

5-chloro-1,3-benzoxazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1903
Patents: 152.99814 Da
Monoisotopic Mass: 2.2
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]+	154.00542	122.8
[M+Na]+	175.98736	139.1
[M+NH4]+	171.03196	133.3
[M+K]+	191.96130	133.4
[M-H]-	151.99086	126.8
[M+Na-2H]-	173.97281	131.2
[M]+	152.99759	126.7
[M]-	152.99869	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe