CID 3824249

501902-19-8

Structural Information

Molecular Formula

C₉H₆Cl₂N₂O

SMILES

C1=CC(=C(C=C1Cl)Cl)C2=NOC(=C2)N

InChI

InChI=1S/C9H6Cl2N2O/c10-5-1-2-6(7(11)3-5)8-4-9(12)14-13-8/h1-4H,12H2

InChIKey

AMDYYTRPAZZNES-UHFFFAOYSA-N

Compound name

3-(2,4-dichlorophenyl)-1,2-oxazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 227.98572 Da
Monoisotopic Mass: 2.9
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]+	228.992996	146.2
[M+Na]+	250.974938	157.8
[M-H]-	226.978444	151.8
[M+NH4]+	246.019543	164.5
[M+K]+	266.948878	153.0
[M+H-H2O]+	210.982980	140.3
[M+HCOO]-	272.983921	161.3
[M+CH3COO]-	286.999571	159.8
[M+Na-2H]-	248.960386	150.7
[M]+	227.98517142	149.2
[M]-	227.98626858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe