CID 213550

Brn 0919270

Structural Information

Molecular Formula

C₁₆H₁₂ClNO

SMILES

C1C2C(C3=CC=CC=C31)ON=C2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C16H12ClNO/c17-12-7-5-10(6-8-12)15-14-9-11-3-1-2-4-13(11)16(14)19-18-15/h1-8,14,16H,9H2

InChIKey

NWBORYWRJABNHX-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.06073 Da
Monoisotopic Mass: 4.0
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]+	270.068006	160.7
[M+Na]+	292.049948	171.8
[M-H]-	268.053454	169.0
[M+NH4]+	287.094553	181.1
[M+K]+	308.023888	166.3
[M+H-H2O]+	252.057990	154.3
[M+HCOO]-	314.058931	177.4
[M+CH3COO]-	328.074581	174.0
[M+Na-2H]-	290.035396	164.2
[M]+	269.06018142	164.0
[M]-	269.06127858	164.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.