CID 3706633

Sulfhydryl boron hydride

Structural Information

Molecular Formula

C₇H₉N₃O₂S₂

SMILES

C1=CC=C(C=C1)S(=O)(=O)NNC(=S)N

InChI

InChI=1S/C7H9N3O2S2/c8-7(13)9-10-14(11,12)6-4-2-1-3-5-6/h1-5,10H,(H3,8,9,13)

InChIKey

JWPWVPPTDSULMI-UHFFFAOYSA-N

Compound name

benzenesulfonamidothiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 199
References: 66
Patents: 231.01363 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]+	232.020906	145.5
[M+Na]+	254.002848	151.6
[M-H]-	230.006354	147.8
[M+NH4]+	249.047453	162.1
[M+K]+	269.976788	146.3
[M+H-H2O]+	214.010890	138.6
[M+HCOO]-	276.011831	159.7
[M+CH3COO]-	290.027481	190.2
[M+Na-2H]-	251.988296	149.6
[M]+	231.01308142	143.4
[M]-	231.01417858	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe