CID 12284895

4,5-dibromothiophene-3-carbaldehyde

Structural Information

Molecular Formula

C₅H₂Br₂OS

SMILES

C1=C(C(=C(S1)Br)Br)C=O

InChI

InChI=1S/C5H2Br2OS/c6-4-3(1-8)2-9-5(4)7/h1-2H

InChIKey

URRXBIOGMCUMSR-UHFFFAOYSA-N

Compound name

4,5-dibromothiophene-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.8193 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]+	268.82658	123.1
[M+Na]+	290.80852	137.5
[M-H]-	266.81202	131.3
[M+NH4]+	285.85312	145.9
[M+K]+	306.78246	121.9
[M+H-H2O]+	250.81656	132.5
[M+HCOO]-	312.81750	138.1
[M+CH3COO]-	326.83315	196.4
[M+Na-2H]-	288.79397	129.2
[M]+	267.81875	159.4
[M]-	267.81985	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.