CID 68181

Bromal hydrate

Structural Information

Molecular Formula

C₂H₃Br₃O₂

SMILES

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

InChI

InChI=1S/C2H3Br3O2/c3-2(4,5)1(6)7/h1,6-7H

InChIKey

NJHVMXFNIZTTBV-UHFFFAOYSA-N

Compound name

2,2,2-tribromoethane-1,1-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 64
Patents: 295.7683 Da
Monoisotopic Mass: 1.4
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]+	296.77558	148.0
[M+Na]+	318.75752	140.2
[M+NH4]+	313.80212	148.8
[M+K]+	334.73146	149.4
[M-H]-	294.76102	148.6
[M+Na-2H]-	316.74297	148.5
[M]+	295.76775	146.8
[M]-	295.76885	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe