CID 15050559

352214-93-8

Structural Information

Molecular Formula

C₇H₄F₂N₂S

SMILES

C1=C2C(=CC(=C1F)F)SC(=N2)N

InChI

InChI=1S/C7H4F2N2S/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H,(H2,10,11)

InChIKey

LTJNALXNNMUKHU-UHFFFAOYSA-N

Compound name

5,6-difluoro-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 101
Patents: 186.00633 Da
Monoisotopic Mass: 2.2
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]+	187.01361	128.4
[M+Na]+	208.99555	141.8
[M-H]-	184.99905	130.4
[M+NH4]+	204.04015	150.8
[M+K]+	224.96949	137.2
[M+H-H2O]+	169.00359	121.5
[M+HCOO]-	231.00453	147.7
[M+CH3COO]-	245.02018	143.2
[M+Na-2H]-	206.98100	132.5
[M]+	186.00578	129.1
[M]-	186.00688	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe