CID 240311

6461-30-9

Structural Information

Molecular Formula

C₅H₅ClN₂O₄S

SMILES

CC1=C(C(=O)NC(=O)N1)S(=O)(=O)Cl

InChI

InChI=1S/C5H5ClN2O4S/c1-2-3(13(6,11)12)4(9)8-5(10)7-2/h1H3,(H2,7,8,9,10)

InChIKey

XDXYTKIQVSJRIX-UHFFFAOYSA-N

Compound name

6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 223.96585 Da
Monoisotopic Mass: -0.4
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]+	224.97313	143.3
[M+Na]+	246.95507	155.5
[M+NH4]+	241.99967	148.5
[M+K]+	262.92901	149.9
[M-H]-	222.95857	140.7
[M+Na-2H]-	244.94052	146.6
[M]+	223.96530	144.7
[M]-	223.96640	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe