CID 16042

Dibromo-meso-erythritol

Structural Information

Molecular Formula
C4H8Br2O2
SMILES
C([C@H]([C@H](CBr)O)O)Br
InChI
InChI=1S/C4H8Br2O2/c5-1-3(7)4(8)2-6/h3-4,7-8H,1-2H2/t3-,4+
InChIKey
XOWDQAHYPSENAC-ZXZARUISSA-N
Compound name
(2S,3R)-1,4-dibromobutane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

390
Patents

245.8891 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.89638 134.9
[M+Na]+ 268.87832 144.2
[M-H]- 244.88182 136.7
[M+NH4]+ 263.92292 154.2
[M+K]+ 284.85226 128.7
[M+H-H2O]+ 228.88636 142.7
[M+HCOO]- 290.88730 147.6
[M+CH3COO]- 304.90295 192.6
[M+Na-2H]- 266.86377 140.1
[M]+ 245.88855 166.7
[M]- 245.88965 166.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe