CID 54593983

1116135-67-1

Structural Information

Molecular Formula

C₇H₅ClN₂O₄S

SMILES

C1C(=O)NC2=C(O1)C=C(C=N2)S(=O)(=O)Cl

InChI

InChI=1S/C7H5ClN2O4S/c8-15(12,13)4-1-5-7(9-2-4)10-6(11)3-14-5/h1-2H,3H2,(H,9,10,11)

InChIKey

GSYIBBXJLZWDGE-UHFFFAOYSA-N

Compound name

3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 247.96585 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]+	248.973126	144.6
[M+Na]+	270.955068	155.2
[M-H]-	246.958574	146.3
[M+NH4]+	265.999673	159.7
[M+K]+	286.929008	151.8
[M+H-H2O]+	230.963110	139.4
[M+HCOO]-	292.964051	152.1
[M+CH3COO]-	306.979701	182.7
[M+Na-2H]-	268.940516	151.7
[M]+	247.96530142	147.5
[M]-	247.96639858	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe