CID 10267556

144631-82-3

Structural Information

Molecular Formula

C₈H₄BrF₃N₂OS

SMILES

C1=C(C=C(C2=C1SC(=N2)N)Br)OC(F)(F)F

InChI

InChI=1S/C8H4BrF3N2OS/c9-4-1-3(15-8(10,11)12)2-5-6(4)14-7(13)16-5/h1-2H,(H2,13,14)

InChIKey

UGMJJOPHHBHLNL-UHFFFAOYSA-N

Compound name

4-bromo-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 311.91797 Da
Monoisotopic Mass: 3.9
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]+	312.92525	149.9
[M+Na]+	334.90719	165.9
[M-H]-	310.91069	153.2
[M+NH4]+	329.95179	170.7
[M+K]+	350.88113	152.9
[M+H-H2O]+	294.91523	148.0
[M+HCOO]-	356.91617	164.4
[M+CH3COO]-	370.93182	198.7
[M+Na-2H]-	332.89264	155.1
[M]+	311.91742	168.9
[M]-	311.91852	168.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe