CID 130063385

1427426-59-2

Structural Information

Molecular Formula

C₇H₂Br₂FNS

SMILES

C1=CC(=C(C2=C1SC(=N2)Br)F)Br

InChI

InChI=1S/C7H2Br2FNS/c8-3-1-2-4-6(5(3)10)11-7(9)12-4/h1-2H

InChIKey

LSYHSGURCDEIDB-UHFFFAOYSA-N

Compound name

2,5-dibromo-4-fluoro-1,3-benzothiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 308.82587 Da
Monoisotopic Mass: 4.2
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]+	309.833146	127.7
[M+Na]+	331.815088	143.7
[M-H]-	307.818594	135.1
[M+NH4]+	326.859693	149.6
[M+K]+	347.789028	128.0
[M+H-H2O]+	291.823130	137.0
[M+HCOO]-	353.824071	141.6
[M+CH3COO]-	367.839721	144.2
[M+Na-2H]-	329.800536	135.2
[M]+	308.82532142	164.7
[M]-	308.82641858	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.