CID 75481516

5h,6h,8h-imidazo[2,1-c][1,4]oxazine-3-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₇ClN₂O₃S

SMILES

C1COCC2=NC=C(N21)S(=O)(=O)Cl

InChI

InChI=1S/C6H7ClN2O3S/c7-13(10,11)6-3-8-5-4-12-2-1-9(5)6/h3H,1-2,4H2

InChIKey

BYGYFHSRHRHTBK-UHFFFAOYSA-N

Compound name

6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.98659 Da
Monoisotopic Mass: -0.2
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]+	222.993866	141.5
[M+Na]+	244.975808	152.2
[M-H]-	220.979314	144.5
[M+NH4]+	240.020413	160.2
[M+K]+	260.949748	150.3
[M+H-H2O]+	204.983850	136.7
[M+HCOO]-	266.984791	151.2
[M+CH3COO]-	281.000441	179.5
[M+Na-2H]-	242.961256	147.0
[M]+	221.98604142	145.5
[M]-	221.98713858	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.