CID 87152

17557-67-4

Structural Information

Molecular Formula

C₈H₈N₂O₂S₂

SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N

InChI

InChI=1S/C8H8N2O2S2/c1-14(11,12)5-2-3-6-7(4-5)13-8(9)10-6/h2-4H,1H3,(H2,9,10)

InChIKey

ZYHNHJAMVNINSY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 15
References: 471
Patents: 228.00272 Da
Monoisotopic Mass: 1.3
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]+	229.01000	146.7
[M+Na]+	250.99194	158.0
[M+NH4]+	246.03654	155.1
[M+K]+	266.96588	150.8
[M-H]-	226.99544	148.0
[M+Na-2H]-	248.97739	151.2
[M]+	228.00217	149.5
[M]-	228.00327	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe