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
1
Annotation Hits

0
References

185
Patents

213.86288 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.87016 124.5
[M+Na]+ 236.85210 135.4
[M-H]- 212.85560 127.9
[M+NH4]+ 231.89670 145.7
[M+K]+ 252.82604 119.9
[M+H-H2O]+ 196.86014 133.1
[M+HCOO]- 258.86108 139.7
[M+CH3COO]- 272.87673 188.9
[M+Na-2H]- 234.83755 132.2
[M]+ 213.86233 156.6
[M]- 213.86343 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