CID 59355817

(4,5-dibromothiophen-2-yl)methanol

Structural Information

Molecular Formula

C₅H₄Br₂OS

SMILES

C1=C(SC(=C1Br)Br)CO

InChI

InChI=1S/C5H4Br2OS/c6-4-1-3(2-8)9-5(4)7/h1,8H,2H2

InChIKey

PEJZUWKPHCZNOX-UHFFFAOYSA-N

Compound name

(4,5-dibromothiophen-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 269.83496 Da
Monoisotopic Mass: 2.5
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]+	270.84224	134.5
[M+Na]+	292.82418	129.1
[M+NH4]+	287.86878	137.0
[M+K]+	308.79812	135.9
[M-H]-	268.82768	134.9
[M+Na-2H]-	290.80963	135.7
[M]+	269.83441	132.9
[M]-	269.83551	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe