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
2
Annotation Hits

6
References

1613
Patents

243.87344 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.88072 133.3
[M+Na]+ 266.86266 142.9
[M-H]- 242.86616 135.2
[M+NH4]+ 261.90726 152.6
[M+K]+ 282.83660 127.0
[M+H-H2O]+ 226.87070 141.2
[M+HCOO]- 288.87164 146.2
[M+CH3COO]- 302.88729 191.4
[M+Na-2H]- 264.84811 138.6
[M]+ 243.87289 164.6
[M]- 243.87399 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe