CID 14169824

2,5-dichloro-7-methyl-1,3-benzoxazole

Structural Information

Molecular Formula

C₈H₅Cl₂NO

SMILES

CC1=CC(=CC2=C1OC(=N2)Cl)Cl

InChI

InChI=1S/C8H5Cl2NO/c1-4-2-5(9)3-6-7(4)12-8(10)11-6/h2-3H,1H3

InChIKey

OZSHCLAIZGBQOB-UHFFFAOYSA-N

Compound name

2,5-dichloro-7-methyl-1,3-benzoxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 200.97482 Da
Monoisotopic Mass: 3.7
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]+	201.98210	133.9
[M+Na]+	223.96404	151.1
[M+NH4]+	219.00864	144.1
[M+K]+	239.93798	144.8
[M-H]-	199.96754	137.7
[M+Na-2H]-	221.94949	141.4
[M]+	200.97427	138.2
[M]-	200.97537	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe