CID 86187

Furilazole

Structural Information

Molecular Formula

C₁₁H₁₃Cl₂NO₃

SMILES

CC1(N(CC(O1)C2=CC=CO2)C(=O)C(Cl)Cl)C

InChI

InChI=1S/C11H13Cl2NO3/c1-11(2)14(10(15)9(12)13)6-8(17-11)7-4-3-5-16-7/h3-5,8-9H,6H2,1-2H3

InChIKey

MCNOFYBITGAAGM-UHFFFAOYSA-N

Compound name

2,2-dichloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1
References: 13515
Patents: 277.02725 Da
Monoisotopic Mass: 2.0
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]+	278.03453	159.1
[M+Na]+	300.01647	168.1
[M-H]-	276.01997	165.4
[M+NH4]+	295.06107	177.8
[M+K]+	315.99041	166.2
[M+H-H2O]+	260.02451	155.0
[M+HCOO]-	322.02545	168.8
[M+CH3COO]-	336.04110	193.3
[M+Na-2H]-	298.00192	159.5
[M]+	277.02670	163.5
[M]-	277.02780	163.5

Literature stripe

literature stripe

Patent stripe

patents stripe