CID 10149355

171967-86-5

Structural Information

Molecular Formula

C₄H₇ClN₄O₄S₂

SMILES

CN(C)S(=O)(=O)N1C=NC(=N1)S(=O)(=O)Cl

InChI

InChI=1S/C4H7ClN4O4S2/c1-8(2)15(12,13)9-3-6-4(7-9)14(5,10)11/h3H,1-2H3

InChIKey

PVKGQPUFIWJRTQ-UHFFFAOYSA-N

Compound name

1-(dimethylsulfamoyl)-1,2,4-triazole-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 273.95972 Da
Monoisotopic Mass: -0.1
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]+	274.96700	159.6
[M+Na]+	296.94894	167.7
[M+NH4]+	291.99354	164.1
[M+K]+	312.92288	163.9
[M-H]-	272.95244	156.4
[M+Na-2H]-	294.93439	161.2
[M]+	273.95917	160.6
[M]-	273.96027	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe