CID 26597111

872365-04-3

Structural Information

Molecular Formula

C₇H₄ClFN₂S

SMILES

C1=CC(=C2C(=C1F)N=C(S2)N)Cl

InChI

InChI=1S/C7H4ClFN2S/c8-3-1-2-4(9)5-6(3)12-7(10)11-5/h1-2H,(H2,10,11)

InChIKey

XCUITTBSKCRPCT-UHFFFAOYSA-N

Compound name

7-chloro-4-fluoro-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 201.97678 Da
Monoisotopic Mass: 2.8
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]+	202.98406	133.3
[M+Na]+	224.96600	147.0
[M+NH4]+	220.01060	143.1
[M+K]+	240.93994	139.7
[M-H]-	200.96950	135.2
[M+Na-2H]-	222.95145	139.6
[M]+	201.97623	136.5
[M]-	201.97733	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe