CID 3078872

Brn 5967292

Structural Information

Molecular Formula

C₁₅H₁₀ClNO₃

SMILES

CN1C2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)OC1=O

InChI

InChI=1S/C15H10ClNO3/c1-17-12-7-4-10(8-13(12)20-15(17)19)14(18)9-2-5-11(16)6-3-9/h2-8H,1H3

InChIKey

CFTKMMJMJRFCBZ-UHFFFAOYSA-N

Compound name

6-(4-chlorobenzoyl)-3-methyl-1,3-benzoxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 287.0349 Da
Monoisotopic Mass: 3.3
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]+	288.042176	160.3
[M+Na]+	310.024118	173.5
[M-H]-	286.027624	168.8
[M+NH4]+	305.068723	177.5
[M+K]+	325.998058	168.9
[M+H-H2O]+	270.032160	153.6
[M+HCOO]-	332.033101	179.4
[M+CH3COO]-	346.048751	174.4
[M+Na-2H]-	308.009566	165.2
[M]+	287.03435142	167.9
[M]-	287.03544858	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe