CID 46397

64037-24-7

Structural Information

Molecular Formula

C₈H₇ClN₂O

SMILES

CNC1=NC2=C(O1)C=CC(=C2)Cl

InChI

InChI=1S/C8H7ClN2O/c1-10-8-11-6-4-5(9)2-3-7(6)12-8/h2-4H,1H3,(H,10,11)

InChIKey

JCDFYLCJMXKBNO-UHFFFAOYSA-N

Compound name

5-chloro-N-methyl-1,3-benzoxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 182.02469 Da
Monoisotopic Mass: 3.1
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]+	183.031966	133.2
[M+Na]+	205.013908	145.4
[M-H]-	181.017414	138.0
[M+NH4]+	200.058513	154.6
[M+K]+	220.987848	142.2
[M+H-H2O]+	165.021950	127.8
[M+HCOO]-	227.022891	154.5
[M+CH3COO]-	241.038541	148.5
[M+Na-2H]-	202.999356	142.7
[M]+	182.02414142	138.3
[M]-	182.02523858	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe