CID 91937

55919-37-4

Structural Information

Molecular Formula

C₉H₁₀N₂O₂S₂

SMILES

CCS(=O)(=O)C1=NC2=C(S1)C=C(C=C2)N

InChI

InChI=1S/C9H10N2O2S2/c1-2-15(12,13)9-11-7-4-3-6(10)5-8(7)14-9/h3-5H,2,10H2,1H3

InChIKey

RLCODDFEMWRRJK-UHFFFAOYSA-N

Compound name

2-ethylsulfonyl-1,3-benzothiazol-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 242.01837 Da
Monoisotopic Mass: 1.6
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]+	243.025646	149.6
[M+Na]+	265.007588	161.6
[M-H]-	241.011094	153.3
[M+NH4]+	260.052193	169.4
[M+K]+	280.981528	156.3
[M+H-H2O]+	225.015630	144.5
[M+HCOO]-	287.016571	163.7
[M+CH3COO]-	301.032221	188.9
[M+Na-2H]-	262.993036	153.3
[M]+	242.01782142	154.3
[M]-	242.01891858	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe