CID 641240

Trans-2,3-dibromo-2-butene-1,4-diol

Structural Information

Molecular Formula

C₄H₆Br₂O₂

SMILES

C(/C(=C(/CO)\Br)/Br)O

InChI

InChI=1S/C4H6Br2O2/c5-3(1-7)4(6)2-8/h7-8H,1-2H2/b4-3+

InChIKey

MELXIJRBKWTTJH-ONEGZZNKSA-N

Compound name

(E)-2,3-dibromobut-2-ene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 1918
Patents: 243.87344 Da
Monoisotopic Mass: 0.1
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]+	244.880716	133.3
[M+Na]+	266.862658	142.9
[M-H]-	242.866164	135.2
[M+NH4]+	261.907263	152.6
[M+K]+	282.836598	127.0
[M+H-H2O]+	226.870700	141.2
[M+HCOO]-	288.871641	146.2
[M+CH3COO]-	302.887291	191.4
[M+Na-2H]-	264.848106	138.6
[M]+	243.87289142	164.6
[M]-	243.87398858	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe