CID 94651

Refchem:1059319

Structural Information

Molecular Formula
C3H4Br2O
SMILES
C(C(=CBr)Br)O
InChI
InChI=1S/C3H4Br2O/c4-1-3(5)2-6/h1,6H,2H2
InChIKey
WMKYSVJWQJOFAN-UHFFFAOYSA-N
Compound name
2,3-dibromoprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

221
Patents

213.86288 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.870156 124.5
[M+Na]+ 236.852098 135.4
[M-H]- 212.855604 127.9
[M+NH4]+ 231.896703 145.7
[M+K]+ 252.826038 119.9
[M+H-H2O]+ 196.860140 133.1
[M+HCOO]- 258.861081 139.7
[M+CH3COO]- 272.876731 188.9
[M+Na-2H]- 234.837546 132.2
[M]+ 213.86233142 156.6
[M]- 213.86342858 156.6
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