CID 2799888

2,5-dichloro-3-thiophenesulfonamide

Structural Information

Molecular Formula

C₄H₃Cl₂NO₂S₂

SMILES

C1=C(SC(=C1S(=O)(=O)N)Cl)Cl

InChI

InChI=1S/C4H3Cl2NO2S2/c5-3-1-2(4(6)10-3)11(7,8)9/h1H,(H2,7,8,9)

InChIKey

BUQKISCVZMIFEF-UHFFFAOYSA-N

Compound name

2,5-dichlorothiophene-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 61
Patents: 230.89822 Da
Monoisotopic Mass: 2.1
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]+	231.90550	143.1
[M+Na]+	253.88744	154.7
[M-H]-	229.89094	147.2
[M+NH4]+	248.93204	164.4
[M+K]+	269.86138	148.6
[M+H-H2O]+	213.89548	140.7
[M+HCOO]-	275.89642	148.7
[M+CH3COO]-	289.91207	182.8
[M+Na-2H]-	251.87289	143.4
[M]+	230.89767	147.0
[M]-	230.89877	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe