CID 16041

2,3-dibromo-1,4-butanediol

Structural Information

Molecular Formula

C₄H₈Br₂O₂

SMILES

C(C(C(CO)Br)Br)O

InChI

InChI=1S/C4H8Br2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2H2

InChIKey

OXYNQEOLHRWEPE-UHFFFAOYSA-N

Compound name

2,3-dibromobutane-1,4-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 921
Patents: 245.8891 Da
Monoisotopic Mass: 0.5
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]+	246.89638	140.6
[M+Na]+	268.87832	133.7
[M+NH4]+	263.92292	141.8
[M+K]+	284.85226	141.5
[M-H]-	244.88182	139.0
[M+Na-2H]-	266.86377	139.8
[M]+	245.88855	137.8
[M]-	245.88965	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe