CID 23337886

59689-65-5

Structural Information

Molecular Formula

C₆H₁₀ClN₃O₂S

SMILES

CC(C)(C)C1=NC(=NN1)S(=O)(=O)Cl

InChI

InChI=1S/C6H10ClN3O2S/c1-6(2,3)4-8-5(10-9-4)13(7,11)12/h1-3H3,(H,8,9,10)

InChIKey

GEXZYDSRMARZCN-UHFFFAOYSA-N

Compound name

5-tert-butyl-1H-1,2,4-triazole-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 223.01822 Da
Monoisotopic Mass: 2.0
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]+	224.02550	147.3
[M+Na]+	246.00744	158.5
[M-H]-	222.01094	146.9
[M+NH4]+	241.05204	164.6
[M+K]+	261.98138	154.5
[M+H-H2O]+	206.01548	142.1
[M+HCOO]-	268.01642	156.0
[M+CH3COO]-	282.03207	179.3
[M+Na-2H]-	243.99289	150.7
[M]+	223.01767	150.7
[M]-	223.01877	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe