CID 326152

53995-34-9

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂O₃

SMILES

C1C(=O)N(N=C(O1)C2=CC=CC=C2O)CCCl

InChI

InChI=1S/C11H11ClN2O3/c12-5-6-14-10(16)7-17-11(13-14)8-3-1-2-4-9(8)15/h1-4,15H,5-7H2

InChIKey

CYECAWLYDALKTP-UHFFFAOYSA-N

Compound name

4-(2-chloroethyl)-2-(2-hydroxyphenyl)-1,3,4-oxadiazin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 254.04582 Da
Monoisotopic Mass: 1.6
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]+	255.05310	153.3
[M+Na]+	277.03504	162.4
[M-H]-	253.03854	156.6
[M+NH4]+	272.07964	166.5
[M+K]+	293.00898	158.8
[M+H-H2O]+	237.04308	145.4
[M+HCOO]-	299.04402	166.8
[M+CH3COO]-	313.05967	189.2
[M+Na-2H]-	275.02049	158.6
[M]+	254.04527	155.0
[M]-	254.04637	155.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.