CID 34443

Seclazone

Structural Information

Molecular Formula

C₁₀H₈ClNO₃

SMILES

C1CON2C1OC3=C(C2=O)C=C(C=C3)Cl

InChI

InChI=1S/C10H8ClNO3/c11-6-1-2-8-7(5-6)10(13)12-9(15-8)3-4-14-12/h1-2,5,9H,3-4H2

InChIKey

XWXVKXXKKLBDDJ-UHFFFAOYSA-N

Compound name

7-chloro-3,3a-dihydro-2H-[1,2]oxazolo[3,2-b][1,3]benzoxazin-9-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3065
Patents: 225.01927 Da
Monoisotopic Mass: 2.1
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]+	226.02655	142.3
[M+Na]+	248.00849	156.4
[M+NH4]+	243.05309	151.8
[M+K]+	263.98243	152.1
[M-H]-	224.01199	146.8
[M+Na-2H]-	245.99394	145.7
[M]+	225.01872	145.9
[M]-	225.01982	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe