CID 3660672

383131-45-1

Structural Information

Molecular Formula

C₇H₄BrFN₂S

SMILES

C1=C(C=C2C(=C1F)N=C(S2)N)Br

InChI

InChI=1S/C7H4BrFN2S/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H,(H2,10,11)

InChIKey

UTJKGZXNIBEVEF-UHFFFAOYSA-N

Compound name

6-bromo-4-fluoro-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 245.92625 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]+	246.93353	135.1
[M+Na]+	268.91547	138.6
[M+NH4]+	263.96007	140.7
[M+K]+	284.88941	138.3
[M-H]-	244.91897	135.4
[M+Na-2H]-	266.90092	138.3
[M]+	245.92570	134.9
[M]-	245.92680	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe